Structure of PDB 3vh9 Chain A Binding Site BS03

Receptor Information
>3vh9 Chain A (length=291) Species: 671 (Vibrio proteolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPPITQQATVTAWLPQVDASQITGTISSLESFTNRFYTTTSGAQASDWIA
SEWQALSASLPNASVKQVSHSGYNQKSVVMTITGSEAPDEWIVIGGHLDS
TIGSHTNEQSVAPGADDDASGIAAVTEVIRVLSENNFQPKRSIAFMAYAA
EEVGLRGSQDLANQYKSEGKNVVSALQLDMTNYKGSAQDVVFITDYTDSN
FTQYLTQLMDEYLPSLTYGFDTCGYACSDHASWHNAGYPAAMPFESKFND
YNPRIHTTQDTLANSDPTGSHAKKFTQLGLAYAIEMGSATG
Ligand information
Ligand IDHQY
InChIInChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
InChIKeyMCJGNVYPOGVAJF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 11.02
CACTVS 3.352		Oc1cccc2cccnc12
OpenEye OEToolkits 1.7.0c1cc2cccnc2c(c1)O
FormulaC9 H7 N O
Namequinolin-8-ol;
8-hydroxyquinoline
ChEMBLCHEMBL310555
DrugBankDB11145
ZINCZINC000000008492
PDB chain3vh9 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vh9 Potent inhibition of dinuclear zinc(II) peptidase, an aminopeptidase from Aeromonas proteolytica, by 8-quinolinol derivatives: inhibitor design based on Zn(2+) fluorophores, kinetic, and X-ray crystallographic study.
Resolution1.29 Å
Binding residue
(original residue number in PDB)		D117 E152 D179 Y225 Y251 I255 H256
Binding residue
(residue number reindexed from 1)		D117 E152 D179 Y225 Y251 I255 H256
Annotation score1
Binding affinityMOAD: Ki=0.58uM
PDBbind-CN: -logKd/Ki=6.24,Ki=0.58uM
Enzymatic activity
Catalytic site (original residue number in PDB) H97 D117 E151 E152 D179 H256
Catalytic site (residue number reindexed from 1) H97 D117 E151 E152 D179 H256
Enzyme Commision number 3.4.11.10: bacterial leucyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0008235 metalloexopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3vh9, PDBe:3vh9, PDBj:3vh9
PDBsum3vh9
PubMed22311113
UniProtQ01693|AMPX_VIBPR Bacterial leucyl aminopeptidase

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