4CQL

Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d4cqla_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d4cqld_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
E	d4cqle_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
H	d4cqlh_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
I	d4cqli_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
L	d4cqll_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
M	d4cqlm_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
P	d4cqlp_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
G	d4cqlg_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4cqlb1	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4cqlb2	Artifacts	Tags	Tags	Tags	N-terminal Tags	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d4cqlc_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
F	d4cqlf1	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
F	d4cqlf2	Artifacts	Tags	Tags	Tags	N-terminal Tags	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
J	d4cqlj1	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
J	d4cqlj2	Artifacts	Tags	Tags	Tags	N-terminal Tags	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
K	d4cqlk_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
N	d4cqln1	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
N	d4cqln2	Artifacts	Tags	Tags	Tags	N-terminal Tags	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
O	d4cqlo_	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	SDR-like	8066830	3000038	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	SDR-like	8066830	3000038	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	SDR-like	8066830	3000038	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	SDR-like	8066830	3000038	SCOP2B (2022-06-29)
I	SCOP2B Superfamily	SDR-like	8066830	3000038	SCOP2B (2022-06-29)
L	SCOP2B Superfamily	SDR-like	8066830	3000038	SCOP2B (2022-06-29)
M	SCOP2B Superfamily	SDR-like	8066830	3000038	SCOP2B (2022-06-29)
P	SCOP2B Superfamily	SDR-like	8066830	3000038	SCOP2B (2022-06-29)
G	SCOP2 Family	Short-chain dehydrogenases/reductases, SDR	8063229	4000029	SCOP2 (2022-06-29)
G	SCOP2 Superfamily	SDR-like	8063230	3000038	SCOP2 (2022-06-29)
B	SCOP2B Superfamily	SDR-like	8063230	3000038	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	SDR-like	8063230	3000038	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	SDR-like	8063230	3000038	SCOP2B (2022-06-29)
J	SCOP2B Superfamily	SDR-like	8063230	3000038	SCOP2B (2022-06-29)
K	SCOP2B Superfamily	SDR-like	8063230	3000038	SCOP2B (2022-06-29)
N	SCOP2B Superfamily	SDR-like	8063230	3000038	SCOP2B (2022-06-29)
O	SCOP2B Superfamily	SDR-like	8063230	3000038	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	adh_short_C2	e4cqlA1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2	ECOD (1.6)
D	adh_short_C2	e4cqlD1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2	ECOD (1.6)
E	adh_short_C2	e4cqlE1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2	ECOD (1.6)
H	adh_short_C2	e4cqlH1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2	ECOD (1.6)
I	adh_short_C2	e4cqlI1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2	ECOD (1.6)
L	adh_short_C2	e4cqlL1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2	ECOD (1.6)
M	adh_short_C2	e4cqlM1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2	ECOD (1.6)
P	adh_short_C2	e4cqlP1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2	ECOD (1.6)
G	adh_short_C2_1	e4cqlG1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2_1	ECOD (1.6)
B	adh_short_C2_1	e4cqlB1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2_1	ECOD (1.6)
C	adh_short_C2_1	e4cqlC1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2_1	ECOD (1.6)
F	adh_short_C2_1	e4cqlF1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2_1	ECOD (1.6)
J	adh_short_C2_1	e4cqlJ1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2_1	ECOD (1.6)
K	adh_short_C2_1	e4cqlK1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2_1	ECOD (1.6)
N	adh_short_C2_1	e4cqlN1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2_1	ECOD (1.6)
O	adh_short_C2_1	e4cqlO1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: NAD(P)-binding Rossmann-fold domains	F: adh_short_C2_1	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
D	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
E	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
H	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
I	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
L	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
M	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
P	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
G	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
B	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
C	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
F	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
J	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
K	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
N	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)
O	3.40.50.720	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	NAD(P)-binding Rossmann-like Domain	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, D, E, H, I A, D, E, H, I, L, M, P	PF13561	Enoyl-(Acyl carrier protein) reductase (adh_short_C2)	Enoyl-(Acyl carrier protein) reductase	This domain is found in Enoyl-(Acyl carrier protein) reductases.	Domain
B, C, F, G, J B, C, F, G, J, K, N, O	PF13561	Enoyl-(Acyl carrier protein) reductase (adh_short_C2)	Enoyl-(Acyl carrier protein) reductase	This domain is found in Enoyl-(Acyl carrier protein) reductases.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, D, E, H, I A, D, E, H, I, L, M, P	ESTRADIOL 17-BETA-DEHYDROGENASE 8	NAD binding NADH binding binding nucleotide binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding heterocyclic compound binding small molecule binding oxidoreductase activity oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor NAD binding NADH binding binding nucleotide binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding heterocyclic compound binding small molecule binding oxidoreductase activity oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor oxidoreductase activity, acting on CH-OH group of donors (3R)-hydroxyacyl-CoA dehydrogenase (NAD+) activity catalytic activity steroid dehydrogenase activity testosterone dehydrogenase [NAD(P)+] activity steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor testosterone dehydrogenase (NAD+) activity estradiol 17-beta-dehydrogenase [NAD(P)+] activity	protein-containing complex organization protein heterotetramerization cellular component organization cellular component biogenesis cellular component assembly protein complex oligomerization protein tetramerization protein-containing complex assembly cellular process cellular component organization or biogenesis protein heterooligomerization fatty acid metabolic process monocarboxylic acid biosynthetic process small molecule biosynthetic process protein-containing complex organization protein heterotetramerization cellular component organization cellular component biogenesis cellular component assembly protein complex oligomerization protein tetramerization protein-containing complex assembly cellular process cellular component organization or biogenesis protein heterooligomerization fatty acid metabolic process monocarboxylic acid biosynthetic process small molecule biosynthetic process oxoacid metabolic process carboxylic acid metabolic process lipid biosynthetic process primary metabolic process organic acid biosynthetic process organic acid metabolic process fatty acid biosynthetic process carboxylic acid biosynthetic process biosynthetic process small molecule metabolic process metabolic process monocarboxylic acid metabolic process lipid metabolic process regulation of hormone levels steroid metabolic process biological regulation androgen metabolic process regulation of biological quality hormone metabolic process estrogen biosynthetic process estrogen metabolic process steroid biosynthetic process hormone biosynthetic process steroid hormone biosynthetic process	protein-containing complex catalytic complex oxidoreductase complex membrane-bounded organelle intracellular organelle organelle envelope cellular anatomical structure intracellular anatomical structure mitochondrion mitochondrial envelope organelle cytoplasm intracellular membrane-bounded organelle cell periphery protein-containing complex catalytic complex oxidoreductase complex membrane-bounded organelle intracellular organelle organelle envelope cellular anatomical structure intracellular anatomical structure mitochondrion mitochondrial envelope organelle cytoplasm intracellular membrane-bounded organelle cell periphery plasma membrane membrane membrane-enclosed lumen mitochondrial matrix intracellular organelle lumen organelle lumen
B, C, F, G, J B, C, F, G, J, K, N, O	CARBONYL REDUCTASE FAMILY MEMBER 4	binding nucleotide binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding heterocyclic compound binding NADPH binding NADP binding small molecule binding oxidoreductase activity oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor binding nucleotide binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding heterocyclic compound binding NADPH binding NADP binding small molecule binding oxidoreductase activity oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor oxidoreductase activity, acting on CH-OH group of donors catalytic activity 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity quinone binding NAD(P)H dehydrogenase (quinone) activity oxidoreductase activity, acting on NAD(P)H oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor NADPH dehydrogenase (quinone) activity	protein-containing complex organization protein heterotetramerization cellular component organization cellular component biogenesis cellular component assembly protein complex oligomerization protein tetramerization protein-containing complex assembly cellular process cellular component organization or biogenesis protein heterooligomerization fatty acid metabolic process monocarboxylic acid biosynthetic process small molecule biosynthetic process protein-containing complex organization protein heterotetramerization cellular component organization cellular component biogenesis cellular component assembly protein complex oligomerization protein tetramerization protein-containing complex assembly cellular process cellular component organization or biogenesis protein heterooligomerization fatty acid metabolic process monocarboxylic acid biosynthetic process small molecule biosynthetic process oxoacid metabolic process carboxylic acid metabolic process lipid biosynthetic process primary metabolic process organic acid biosynthetic process organic acid metabolic process fatty acid biosynthetic process carboxylic acid biosynthetic process biosynthetic process small molecule metabolic process metabolic process monocarboxylic acid metabolic process lipid metabolic process glycosyl compound metabolic process daunorubicin metabolic process aminoglycoside antibiotic metabolic process ketone metabolic process polyketide metabolic process glycoside metabolic process carbohydrate derivative metabolic process secondary metabolic process protein homotetramerization protein homooligomerization organic hydroxy compound metabolic process alcohol metabolic process doxorubicin metabolic process tertiary alcohol metabolic process primary alcohol metabolic process	protein-containing complex catalytic complex oxidoreductase complex membrane-bounded organelle intracellular anatomical structure mitochondrion membrane-enclosed lumen intracellular membrane-bounded organelle mitochondrial matrix intracellular organelle lumen intracellular organelle cellular anatomical structure organelle lumen organelle protein-containing complex catalytic complex oxidoreductase complex membrane-bounded organelle intracellular anatomical structure mitochondrion membrane-enclosed lumen intracellular membrane-bounded organelle mitochondrial matrix intracellular organelle lumen intracellular organelle cellular anatomical structure organelle lumen organelle cytoplasm

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, D, E, H, I A, D, E, H, I, L, M, P	IPR002347	Short-chain dehydrogenase/reductase SDR	Family
A, D, E, H, I A, D, E, H, I, L, M, P	IPR020904	Short-chain dehydrogenase/reductase, conserved site	Conserved Site
A, D, E, H, I A, D, E, H, I, L, M, P	IPR036291	NAD(P)-binding domain superfamily	Homologous Superfamily
B, C, F, G, J B, C, F, G, J, K, N, O	IPR002347	Short-chain dehydrogenase/reductase SDR	Family
B, C, F, G, J B, C, F, G, J, K, N, O	IPR020904	Short-chain dehydrogenase/reductase, conserved site	Conserved Site
B, C, F, G, J B, C, F, G, J, K, N, O	IPR036291	NAD(P)-binding domain superfamily	Homologous Superfamily

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, D, E, H, I A, D, E, H, I, L, M, P	Pharos: Q92506	Sjogren syndrome acute myeloid leukemia IgA glomerulonephritis Malignant neoplasm of breast pancreatic ductal adenocarcinoma pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia tuberculosis cervical cancer malignant ependymoma malignant pancreatic neoplasm pancreatic intraductal papillary-mucinous carcinoma Hashimoto thyroiditis malignant mesothelioma osteosarcoma pancreatic intraductal papillary-mucinous neoplasm Sjogren syndrome acute myeloid leukemia IgA glomerulonephritis Malignant neoplasm of breast pancreatic ductal adenocarcinoma pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia tuberculosis cervical cancer malignant ependymoma malignant pancreatic neoplasm pancreatic intraductal papillary-mucinous carcinoma Hashimoto thyroiditis malignant mesothelioma osteosarcoma pancreatic intraductal papillary-mucinous neoplasm triple-negative breast carcinoma
B, C, F, G, J B, C, F, G, J, K, N, O	Pharos: Q8N4T8	astrocytic tumor heart disease malignant ependymoma osteosarcoma pancreatic intraductal papillary-mucinous neoplasm primitive neuroectodermal tumor gastric cancer hepatocellular carcinoma medulloblastoma ovarian cancer pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia progressive supranuclear palsy gastric carcinoma lung carcinoma oligodendroglioma astrocytic tumor heart disease malignant ependymoma osteosarcoma pancreatic intraductal papillary-mucinous neoplasm primitive neuroectodermal tumor gastric cancer hepatocellular carcinoma medulloblastoma ovarian cancer pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia progressive supranuclear palsy gastric carcinoma lung carcinoma oligodendroglioma pancreatic intraductal papillary-mucinous carcinoma Pick disease