1X71

Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with TRENCAM-3,2-HOPO, a cepabactin analogue

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	d1x71a_	All beta proteins	Lipocalins	Lipocalins	Retinol binding protein-like	Neutrophil gelatinase-associated lipocalin (NGAL)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d1x71c_	All beta proteins	Lipocalins	Lipocalins	Retinol binding protein-like	Neutrophil gelatinase-associated lipocalin (NGAL)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d1x71b_	All beta proteins	Lipocalins	Lipocalins	Retinol binding protein-like	Neutrophil gelatinase-associated lipocalin (NGAL)	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	SCOP2 Family	Retinol binding protein-like	8021266	4002493	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	Lipocalins	8033646	3001332	SCOP2 (2022-06-29)
C	SCOP2B Superfamily	Lipocalins	8033646	3001332	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Lipocalins	8033646	3001332	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	Lipocalin	e1x71A1	A: beta barrels	X: Lipocalins/Streptavidin	H: Lipocalins (From Topology)	T: Lipocalins	F: Lipocalin	ECOD (1.6)
C	Lipocalin	e1x71C1	A: beta barrels	X: Lipocalins/Streptavidin	H: Lipocalins (From Topology)	T: Lipocalins	F: Lipocalin	ECOD (1.6)
B	Lipocalin	e1x71B1	A: beta barrels	X: Lipocalins/Streptavidin	H: Lipocalins (From Topology)	T: Lipocalins	F: Lipocalin	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	2.40.128.20	Mainly Beta	Beta Barrel	Lipocalin	Calycin beta-barrel core domain	CATH (4.3.0)
C	2.40.128.20	Mainly Beta	Beta Barrel	Lipocalin	Calycin beta-barrel core domain	CATH (4.3.0)
B	2.40.128.20	Mainly Beta	Beta Barrel	Lipocalin	Calycin beta-barrel core domain	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C	PF00061	Lipocalin / cytosolic fatty-acid binding protein family (Lipocalin)	Lipocalin / cytosolic fatty-acid binding protein family	Lipocalins are transporters for small hydrophobic molecules, such as lipids, steroid hormones, bilins, and retinoids. The family also encompasses the enzyme prostaglandin D synthase (EC:5.3.99.2). Alignment subsumes both the lipocalin and fatty acid ...	Lipocalins are transporters for small hydrophobic molecules, such as lipids, steroid hormones, bilins, and retinoids. The family also encompasses the enzyme prostaglandin D synthase (EC:5.3.99.2). Alignment subsumes both the lipocalin and fatty acid binding protein signatures from PROSITE. This is supported on structural and functional grounds. The structure is an eight-stranded beta barrel.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C	Neutrophil gelatinase-associated lipocalin	molecular sequestering activity iron ion sequestering activity metal ion sequestering activity cation binding transition metal ion binding iron ion binding ion binding binding metal ion binding small molecule binding organic cyclic compound binding anion binding macrolide binding heterocyclic compound binding molecular sequestering activity iron ion sequestering activity metal ion sequestering activity cation binding transition metal ion binding iron ion binding ion binding binding metal ion binding small molecule binding organic cyclic compound binding anion binding macrolide binding heterocyclic compound binding enterobactin binding identical protein binding protein binding	multicellular organismal process regulation of biological process regulation of cellular process homeostatic process biological regulation positive regulation of biological process adaptive thermogenesis positive regulation of metabolic process multicellular organismal-level homeostasis regulation of cold-induced thermogenesis cold-induced thermogenesis temperature homeostasis positive regulation of cold-induced thermogenesis positive regulation of multicellular organismal process multicellular organismal process regulation of biological process regulation of cellular process homeostatic process biological regulation positive regulation of biological process adaptive thermogenesis positive regulation of metabolic process multicellular organismal-level homeostasis regulation of cold-induced thermogenesis cold-induced thermogenesis temperature homeostasis positive regulation of cold-induced thermogenesis positive regulation of multicellular organismal process cellular process metabolic process regulation of multicellular organismal process regulation of metabolic process positive regulation of cellular process apoptotic process cell death programmed cell death biological process involved in interspecies interaction between organisms response to stimulus immune response response to other organism defense response defense response to symbiont response to external stimulus response to biotic stimulus immune system process defense response to other organism response to stress innate immune response response to external biotic stimulus defense response to bacterium response to bacterium siderophore transport localization transport iron ion transport transition metal ion transport monoatomic ion transport monoatomic cation transport establishment of localization metal ion transport iron coordination entity transport	cellular anatomical structure extracellular region extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle organelle extracellular space vesicle extracellular membrane-bounded organelle vesicle lumen intracellular anatomical structure intracellular vesicle membrane-enclosed lumen cellular anatomical structure extracellular region extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle organelle extracellular space vesicle extracellular membrane-bounded organelle vesicle lumen intracellular anatomical structure intracellular vesicle membrane-enclosed lumen cytoplasmic vesicle lumen intracellular membrane-bounded organelle secretory granule lumen endomembrane system intracellular organelle lumen intracellular organelle cytoplasmic vesicle organelle lumen specific granule lumen secretory granule secretory vesicle cytoplasm specific granule

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C	IPR012674	Calycin	Homologous Superfamily
A, B, C	IPR003087	Neutrophil gelatinase-associated lipocalin/epididymal-specific lipocalin-12	Family
A, B, C	IPR002345	Lipocalin	Family
A, B, C	IPR000566	Lipocalin/cytosolic fatty-acid binding domain	Domain
A, B, C	IPR022272	Lipocalin family conserved site	Conserved Site

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C	Pharos: P80188	rheumatoid arthritis beta thalassemia kidney disease adult acute respiratory distress syndrome Inflammation cancer contact dermatitis heart valve disease calcinosis cutaneous lupus erythematosus ovarian cancer pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia gastric carcinoma acute kidney failure ulcerative colitis rheumatoid arthritis beta thalassemia kidney disease adult acute respiratory distress syndrome Inflammation cancer contact dermatitis heart valve disease calcinosis cutaneous lupus erythematosus ovarian cancer pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia gastric carcinoma acute kidney failure ulcerative colitis benign neoplasm lung cancer chronic renal failure syndrome malignant pancreatic neoplasm nasopharyngeal carcinoma non-small cell lung carcinoma cystic fibrosis pancreatic ductal adenocarcinoma pituitary cancer exocrine pancreatic carcinoma schizophrenia head and neck cancer thalassemia minor hepatocellular carcinoma interstitial cystitis lung carcinoma MALT lymphoma Crohn disease osteosarcoma pancreatic intraductal papillary-mucinous neoplasm drug-induced liver injury psoriasis gastric cancer sinusitis hepatitis, non-human animal astrocytic tumor hereditary persistence of fetal hemoglobin lung adenocarcinoma chronic obstructive pulmonary disease malignant mesothelioma

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.