Structure of PDB 1wy2 Chain B Binding Site BS01

Receptor Information
>1wy2 Chain B (length=347) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEKVKKIIEFMDKNSIDAVLIAKNPNVYYISGASPLAGGYILITGESATL
YVPELEYEMAKEESNIPVEKFKKMDEFYKALEGIKSLGIESSLPYGFIEE
LKKKANIKEFKKVDDVIRDMRIIKSEKEIKIIEKACEIADKAVMAAIEEI
TEGKKEREVAAKVEYLMKMNGAEKPAFDTIIASGYRSALPHGVASDKRIE
RGDLVVIDLGALYQHYNSDITRTIVVGSPNEKQKEIYEIVLEAQKKAVES
AKPGITAKELDSIARNIIAEYGYGEYFNHSLGHGVGLEVHEWPRVSQYDE
TVLREGMVITIEPGIYIPKIGGVRIEDTILITKNGSKRLTKTERELI
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 chain1wy2 Chain B Residue 407 [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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PDB1wy2 Crystal Structure of the Prolidase from Pyrococcus horikoshii OT3
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D212 D223 E330
Binding residue
(residue number reindexed from 1)		D208 D219 E326
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H195 D212 D223 T225 H283 H287 H294 E316 Y320 R328 E330
Catalytic site (residue number reindexed from 1) H191 D208 D219 T221 H279 H283 H290 E312 Y316 R324 E326
Enzyme Commision number 3.4.13.9: Xaa-Pro dipeptidase.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0016805 dipeptidase activity
GO:0046872 metal ion binding
GO:0102009 proline dipeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wy2, PDBe:1wy2, PDBj:1wy2
PDBsum1wy2
PubMed
UniProtO58885|PEPQ_PYRHO Xaa-Pro dipeptidase (Gene Name=pepQ)

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