Structure of PDB 5tr7 Chain A Binding Site BS01

Receptor Information
>5tr7 Chain A (length=251) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAPQIAAKGYVLMDYHSGKVLAEKEMDTKLSPASLTKMMTSYVIGQEVKR
GNISLNDDVVISKNAWAKNFPDSSKMFVEVGTTVKVSDLNRGIIIQSGND
ACVAMAEHVAGTEDAFVDLMNAWASSLGMKNSHFTNSHGLDDPNLYSTPY
DLALLGQALIRDVPEEYAIYSEQKFTYNGITQYNRNGLLWDKSMNVDGIK
TGHTSGAGYNLVSSATEGNMRLVAVVMGTDNENARKAESKKLLSYGFRFF
E
Ligand information
Ligand IDNO2
InChIInChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
InChIKeyIOVCWXUNBOPUCH-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]N=O
OpenEye OEToolkits 1.5.0N(=O)[O-]
FormulaN O2
NameNITRITE ION
ChEMBL
DrugBankDB12529
ZINC
PDB chain5tr7 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tr7 Crystal structure of a putative D-alanyl-D-alanine carboxypeptidase from Vibrio cholerae O1 biovar eltor str. N16961
Resolution2.05 Å
Binding residue
(original residue number in PDB)		R217 G219 E264 R267 K268
Binding residue
(residue number reindexed from 1)		R185 G187 E232 R235 K236
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.16.4: serine-type D-Ala-D-Ala carboxypeptidase.
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0008233 peptidase activity
GO:0009002 serine-type D-Ala-D-Ala carboxypeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0009252 peptidoglycan biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5tr7, PDBe:5tr7, PDBj:5tr7
PDBsum5tr7
PubMed
UniProtQ9KTF5

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