Structure of PDB 2qyv Chain B Binding Site BS01

Receptor Information
>2qyv Chain B (length=470) Species: 205914 (Histophilus somni 129PT) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQPKLLWQWFDQICAIPHPSYKEEQLAQFIINWAKTKGFFAERDEVGNVL
IRKPATVGMENRKPVVLQAHLDMVPQQDPILPYIDGDWVKAKGTTLGADN
GIGMASALAVLESNDIAHPELEVLLTMTEERGMEGAIGLRPNWLRSEILI
NTDTEENGEIYIGCAGGENADLELPIEYQVNNFEHCYQVVLKGLRGGHSG
VDIHTGRANAIKVLLRFLAELQQNQPHFDFTLANIRGGSIRNAIPRESVA
TLVFNGDITVLQSAVQKFADVIKAELALTEPNLIFTLEKVEKPQQVFSSQ
CTKNIIHCLNVLPNGVVRNSDVIENVVETSLSIGVLKTEDNFVRSTMLVR
SLIESGKSYVASLLKSLASLAQGNINLSGDYPGWEPQSHSDILDLTKTIY
AQVLGTDPEIKVIHAGLECGLLKKIYPTIDMVSIGPTIRNAHSPDEKVHI
PAVETYWKVLTGILAHIPSR
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 chain2qyv Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qyv Crystal structure of putative Xaa-His dipeptidase (YP_718209.1) from Haemophilus somnus 129PT at 2.11 A resolution
Resolution2.11 Å
Binding residue
(original residue number in PDB)		H76 D115 D169
Binding residue
(residue number reindexed from 1)		H70 D99 D153
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.13.20: beta-Ala-His dipeptidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0070573 metallodipeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2qyv, PDBe:2qyv, PDBj:2qyv
PDBsum2qyv
PubMed
UniProtQ0I1B9

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