Structure of PDB 2rag Chain C Binding Site BS02

Receptor Information
>2rag Chain C (length=369) Species: 190650 (Caulobacter vibrioides CB15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKADKALHDKFLTLDTHLDTPAHFGRPGWDIADHHEVEHDFSQVDLPRMN
QGGLDGGFFVVYIGQGELTEKGYTYARDYALHRTIEIREMLAANPDTFEM
ALTSDDARRIAKAGKKFAFVSMENSWPVGEDLSLVETFYKEGLRMAGPVH
FRNNQLADSSTDPKGKIWNGYSPLGLRWLAEANRLGIVIDVSHASDDVVD
QSVALSKAPIIASHSGPKAVYDHPRNLDDARLKKIADAGGAICINSIYLT
DTTPSPEAPDMKTATPEAVKAYADKRAAIDKAHPAARGDFDLYMKSMLHV
LKVAGPKGVCVGADWDGGGGMDGFEDITDLPKITARLKAEGYSDADIEAI
WSGNVLRIVDAAQAYAKSV
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 chain2rag Chain C Residue 419 [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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PDB2rag Crystal structure of aminohydrolase from Caulobacter crescentus.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E159 H229 H250
Binding residue
(residue number reindexed from 1)		E123 H193 H214
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H53 D55 E159 H186 H229 H250 D360
Catalytic site (residue number reindexed from 1) H17 D19 E123 H150 H193 H214 D314
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0070573 metallodipeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2rag, PDBe:2rag, PDBj:2rag
PDBsum2rag
PubMed
UniProtQ9A4T4

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