4ZG9

Structural basis for inhibition of human autotaxin by four novel compounds

External Resource: Annotation

Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	Phosphodiest_C	e4zg9A3	A: a+b two layers	X: Alpha-beta plaits	H: Phosphonoacetate hydrolase insertion domain (From Topology)	T: Phosphonoacetate hydrolase insertion domain	F: Phosphodiest_C	ECOD (1.6)
A	Phosphodiest_N	e4zg9A6	A: a/b three-layered sandwiches	X: Alkaline phosphatase-like (From Topology)	H: Alkaline phosphatase-like (From Topology)	T: Alkaline phosphatase-like	F: Phosphodiest_N	ECOD (1.6)
A	Endonuclease_NS	e4zg9A4	A: few secondary structure elements	X: His-Me finger endonucleases (From Homology)	H: His-Me finger endonucleases	T: His-Me finger endonucleases	F: Endonuclease_NS	ECOD (1.6)
A	Somatomedin_B	e4zg9A5	A: few secondary structure elements	X: Somatomedin B domain (From Topology)	H: Somatomedin B domain (From Topology)	T: Somatomedin B domain	F: Somatomedin_B	ECOD (1.6)
B	Phosphodiest_C	e4zg9B2	A: a+b two layers	X: Alpha-beta plaits	H: Phosphonoacetate hydrolase insertion domain (From Topology)	T: Phosphonoacetate hydrolase insertion domain	F: Phosphodiest_C	ECOD (1.6)
B	Phosphodiest_N	e4zg9B6	A: a/b three-layered sandwiches	X: Alkaline phosphatase-like (From Topology)	H: Alkaline phosphatase-like (From Topology)	T: Alkaline phosphatase-like	F: Phosphodiest_N	ECOD (1.6)
B	Endonuclease_NS	e4zg9B3	A: few secondary structure elements	X: His-Me finger endonucleases (From Homology)	H: His-Me finger endonucleases	T: His-Me finger endonucleases	F: Endonuclease_NS	ECOD (1.6)
B	Somatomedin_B	e4zg9B4	A: few secondary structure elements	X: Somatomedin B domain (From Topology)	H: Somatomedin B domain (From Topology)	T: Somatomedin B domain	F: Somatomedin_B	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	4.10.410.20	Few Secondary Structures	Irregular	Factor Xa Inhibitor		CATH (4.3.0)
A	3.40.720.10	Alpha Beta	3-Layer(aba) Sandwich	Alkaline Phosphatase, subunit A	Alkaline Phosphatase, subunit A	CATH (4.3.0)
A	3.40.570.10	Alpha Beta	3-Layer(aba) Sandwich	Extracellular Endonuclease	Chain A	CATH (4.3.0)
B	4.10.410.20	Few Secondary Structures	Irregular	Factor Xa Inhibitor		CATH (4.3.0)
B	3.40.720.10	Alpha Beta	3-Layer(aba) Sandwich	Alkaline Phosphatase, subunit A	Alkaline Phosphatase, subunit A	CATH (4.3.0)
B	3.40.570.10	Alpha Beta	3-Layer(aba) Sandwich	Extracellular Endonuclease	Chain A	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF01033	Somatomedin B domain (Somatomedin_B)	Somatomedin B domain	-	Family
A, B	PF01663	Type I phosphodiesterase / nucleotide pyrophosphatase (Phosphodiest)	Type I phosphodiesterase / nucleotide pyrophosphatase	-	Family
A, B	PF01223	DNA/RNA non-specific endonuclease (Endonuclease_NS)	DNA/RNA non-specific endonuclease	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	cation binding ion binding binding calcium ion binding metal ion binding small molecule binding organic cyclic compound binding nucleic acid binding hydrolase activity catalytic activity phosphoric ester hydrolase activity phospholipase D activity hydrolase activity, acting on ester bonds phosphoric diester hydrolase activity cation binding ion binding binding calcium ion binding metal ion binding small molecule binding organic cyclic compound binding nucleic acid binding hydrolase activity catalytic activity phosphoric ester hydrolase activity phospholipase D activity hydrolase activity, acting on ester bonds phosphoric diester hydrolase activity carboxylic ester hydrolase activity phospholipase activity lipase activity cargo receptor activity scavenger receptor activity lysophospholipase activity nuclease activity phosphodiesterase I activity exonuclease activity polysaccharide binding carbohydrate binding transition metal ion binding zinc ion binding alkylglycerophosphoethanolamine phosphodiesterase activity	response to stimulus immune response immune system process lipid catabolic process catabolic process phospholipid catabolic process glycerophospholipid metabolic process glycerolipid catabolic process organophosphate catabolic process primary metabolic process phospholipid metabolic process phosphatidylcholine catabolic process organophosphate metabolic process phosphate-containing compound metabolic process response to stimulus immune response immune system process lipid catabolic process catabolic process phospholipid catabolic process glycerophospholipid metabolic process glycerolipid catabolic process organophosphate catabolic process primary metabolic process phospholipid metabolic process phosphatidylcholine catabolic process organophosphate metabolic process phosphate-containing compound metabolic process phosphatidylcholine metabolic process glycerolipid metabolic process metabolic process cellular process glycerophospholipid catabolic process phosphorus metabolic process lipid metabolic process regulation of biological process regulation of cell motility regulation of cellular process regulation of locomotion regulation of cell migration biological regulation cell migration cell motility locomotion chemotaxis taxis response to chemical response to external stimulus sphingolipid catabolic process membrane lipid metabolic process sphingolipid metabolic process membrane lipid catabolic process regulation of cellular component organization positive regulation of cellular component organization regulation of developmental process cell projection organization plasma membrane bounded cell projection morphogenesis positive regulation of biological process cell morphogenesis regulation of cell morphogenesis cellular component organization positive regulation of developmental process cell projection morphogenesis regulation of lamellipodium organization anatomical structure development regulation of lamellipodium morphogenesis positive regulation of cell projection organization cellular component organization or biogenesis regulation of anatomical structure morphogenesis positive regulation of cellular process developmental process plasma membrane bounded cell projection organization positive regulation of lamellipodium morphogenesis regulation of cell projection organization positive regulation of lamellipodium organization anatomical structure morphogenesis lamellipodium organization lamellipodium morphogenesis regulation of plasma membrane bounded cell projection organization regulation of protein modification process positive regulation of phosphorylation regulation of protein phosphorylation positive regulation of protein metabolic process peptidyl-tyrosine modification positive regulation of phosphate metabolic process regulation of primary metabolic process positive regulation of metabolic process positive regulation of peptidyl-tyrosine phosphorylation positive regulation of protein modification process regulation of phosphate metabolic process peptidyl-amino acid modification positive regulation of macromolecule metabolic process protein metabolic process protein modification process positive regulation of protein phosphorylation protein phosphorylation positive regulation of phosphorus metabolic process phosphorylation regulation of protein metabolic process regulation of peptidyl-tyrosine phosphorylation regulation of macromolecule metabolic process macromolecule modification regulation of phosphorylation regulation of phosphorus metabolic process macromolecule metabolic process peptidyl-tyrosine phosphorylation regulation of metabolic process multicellular organismal process positive regulation of locomotion positive regulation of cell migration positive regulation of epithelial cell migration tissue migration ameboidal-type cell migration positive regulation of cell motility regulation of multicellular organismal process epithelial cell migration regulation of epithelial cell migration epithelium migration	cell periphery cellular anatomical structure plasma membrane membrane extracellular region extracellular space

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR044929	DNA/RNA non-specific endonuclease superfamily	Homologous Superfamily
A, B	IPR020821	ENPP1-3/EXOG-like, endonuclease/phosphodiesterase domain	Domain
A, B	IPR001212	Somatomedin B domain	Domain
A, B	IPR017850	Alkaline-phosphatase-like, core domain superfamily	Homologous Superfamily
A, B	IPR002591	Type I phosphodiesterase/nucleotide pyrophosphatase/phosphate transferase	Family
A, B	IPR020436	Somatomedin B domain, chordata	Domain
A, B	IPR044925	His-Me finger superfamily	Homologous Superfamily
A, B	IPR036024	Somatomedin B-like domain superfamily	Homologous Superfamily
A, B	IPR001604	DNA/RNA non-specific endonuclease/pyrophosphatase/phosphodiesterase domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: Q13822	Birth Weight thyroid adenoma thyroid gland carcinoma hepatitis large cell medulloblastoma lung cancer malignant ependymoma medulloblastoma acquired metabolic disease oligodendroglioma pancreatic intraductal papillary-mucinous carcinoma breast fibroadenoma Pick disease cystic fibrosis pterygium Birth Weight thyroid adenoma thyroid gland carcinoma hepatitis large cell medulloblastoma lung cancer malignant ependymoma medulloblastoma acquired metabolic disease oligodendroglioma pancreatic intraductal papillary-mucinous carcinoma breast fibroadenoma Pick disease cystic fibrosis pterygium Duchenne muscular dystrophy glioblastoma invasive ductal breast carcinoma lung carcinoma malignant glioma astrocytic tumor ovarian cancer breast cancer pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia chronic obstructive pulmonary disease pilocytic astrocytoma dermatomyositis Sjogren syndrome ductal breast carcinoma in situ thyroid cancer type 2 diabetes mellitus head and neck cancer juvenile dermatomyositis lung adenocarcinoma malignant colon neoplasm malignant pancreatic neoplasm obesity disorder B-cell chronic lymphocytic leukemia pancreatic ductal adenocarcinoma breast carcinoma periodontitis congestive heart failure progressive supranuclear palsy Down syndrome subependymal giant cell astrocytoma Emery-Dreifuss muscular dystrophy ulcerative colitis

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.