Structure of PDB 3fcx Chain A Binding Site BS02

Receptor Information
>3fcx Chain A (length=268) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MALKQISSNKCFGGLQKVFEHDSVELNCKMKFAVYLPPKAETGKCPALYW
LSGLTCTEQNFISKSGYHQSASEHGLVVIAPDTSPRGCNIFGTGAGFYVD
ATEDPWKTNYRMYSYVTEELPQLINANFPVDPQRMSIFGHSMGGHGALIC
ALKNPGKYKSVSAFAPICNPVLCPWGKKAFSGYLGSKWKAYDATHLVKSY
PLDILIDQGKDDQFLLDGQLLPDNFIAACTEKKIPVVFRLQEDYDHSYYF
IATFITDHIRHHAKYLNA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3fcx Chain A Residue 284 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fcx Crystal structure of human esterase D: a potential genetic marker of retinoblastoma
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D226 Q227 D259 H260
Binding residue
(residue number reindexed from 1)		D212 Q213 D245 H246
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.56: methylumbelliferyl-acetate deacetylase.
3.1.2.12: S-formylglutathione hydrolase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016788 hydrolase activity, acting on ester bonds
GO:0018738 S-formylglutathione hydrolase activity
GO:0042802 identical protein binding
GO:0047374 methylumbelliferyl-acetate deacetylase activity
GO:0052689 carboxylic ester hydrolase activity
Biological Process
GO:0008150 biological_process
GO:0046294 formaldehyde catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005788 endoplasmic reticulum lumen
GO:0005829 cytosol
GO:0031410 cytoplasmic vesicle
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3fcx, PDBe:3fcx, PDBj:3fcx
PDBsum3fcx
PubMed19126594
UniProtP10768|ESTD_HUMAN S-formylglutathione hydrolase (Gene Name=ESD)

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