Structure of PDB 4zbk Chain B Binding Site BS01

Receptor Information
>4zbk Chain B (length=189) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAHLSVVAEDGSAVSATSTINLYFGSKVRSPVSGILFNNEMDDFSSPSIT
NEFGVPPSPANFIQPGKQPLSSMCPTIMVGQDGQVRMVVGAAGGTQITTA
TALAIIYNLWFGYDVKRAVEEPRLHNQLLPNVTTVERNIDQAVTAALETR
HHHTQIASTFIAVVQAIVRTAGGWAAASDSRKGGEPAGY
Ligand information
Ligand ID4M8
InChIInChI=1S/C5H12NO5P/c1-11-12(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyIPFNRXLLJYWAGI-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CO[P](O)(=O)CC[CH](N)C(O)=O
CACTVS 3.385CO[P](O)(=O)CC[C@H](N)C(O)=O
ACDLabs 12.01O=P(CCC(C(O)=O)N)(O)OC
OpenEye OEToolkits 1.9.2CO[P@](=O)(CC[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.9.2COP(=O)(CCC(C(=O)O)N)O
FormulaC5 H12 N O5 P
Name(2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid
ChEMBL
DrugBank
ZINCZINC000089456238
PDB chain4zbk Chain B Residue 1102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zbk Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
Resolution2.18 Å
Binding residue
(original residue number in PDB)		T381 N401 D423 S451 S452 G473 G474
Binding residue
(residue number reindexed from 1)		T1 N21 D43 S71 S72 G93 G94
Annotation score2
Enzymatic activity
Enzyme Commision number 2.3.2.2: gamma-glutamyltransferase.
3.4.19.13: glutathione gamma-glutamate hydrolase.
3.4.19.14: leukotriene-C4 hydrolase.
Gene Ontology
Molecular Function
GO:0036374 glutathione hydrolase activity
Biological Process
GO:0006751 glutathione catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4zbk, PDBe:4zbk, PDBj:4zbk
PDBsum4zbk
PubMed26013825
UniProtP19440|GGT1_HUMAN Glutathione hydrolase 1 proenzyme (Gene Name=GGT1)

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