Structure of PDB 2qyv Chain B Binding Site BS02

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 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		D115 E146 H458
Binding residue
(residue number reindexed from 1)		D99 E130 H442
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

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

[Back to BioLiP]