Structure of PDB 4rgz Chain e Binding Site BS01

Receptor Information
>4rgz Chain e (length=367) Species: 604354 (Thermococcus sibiricus MM 739) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMDYKRRIHKFQAHFGKKGFEGALVAPGSNFYYLTGFNPLGTLERLFVL
ILPSEGLLTAIAPRLYEKELEEFNGEVVLWSDSENPYKIFATKIKETFKE
GEKLLIDDTMPVGVFLKAKDIFDKYSLHPISPVISELREIKDKDEIKAHK
KAAEIVDKVFYRFIEGKLEGKSERELANRIEYMIKNEFGADDVSFEPIVA
SGPNGANPHHRPSHRKIRKGDVVIFDYGAKYLGYCSDVTRTVVVGPPSEE
VKKVYEIVKEAQETAVQKVAEGIPAEVVDATARGIISKYGYGEYFIHRTG
HGLGIDVHEEPYISPGNKKILKDGMVFTIEPGIYLQGKFGVRIEDDVALV
DKKGIRLTNADRELITL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4rgz Chain e Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4rgz Structure of recombinant prolidase from Thermococcus sibiricus in space group P21221.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D229 D240 E347
Binding residue
(residue number reindexed from 1)		D226 D237 E344
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H212 D229 D240 H300 H304 H311 E333 Y337 R345 E347
Catalytic site (residue number reindexed from 1) H209 D226 D237 H297 H301 H308 E330 Y334 R342 E344
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4rgz, PDBe:4rgz, PDBj:4rgz
PDBsum4rgz
PubMed26249680
UniProtC6A2N7

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