Structure of PDB 5xev Chain A Binding Site BS01

Receptor Information
>5xev Chain A (length=409) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STPIPAMQAALAATDLDGWLVYDFQGLNPHARRVLGIGDDVFLTRRFFVW
VPRAGRAVVLHNHIEGGNWNRITQEWDAELRPFGSHAELDAALRGVVSGQ
RLAMEYSPNGAVPYVSRVDAGTLERVRGAGAAEVASSADLLQAFLVWTPD
DLAAHRRAAALLMRAKDDAFRLIHDRLRAGQSVTEWEVQQLIMDQIRAAG
MQAGHDVNVSFGVNAADSHYEPSEQRSATLHPGECVLIDLWAQEPGRPFA
DVTWVGFAGEPGTEYLDAWQAVRAAREAALELLRSRFVAEGYGRLQGWEL
DRAARDAMGERWAPHFLHRTGHDLGVQIHGAGANLDDYETRDTRTLTPGL
SVTVEPGTYPAAGGFGIRSEVDVYLAPDGPEVTTDLQQAPFILGVGDWDA
VRAAGYGEQ
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 chain5xev Chain A Residue 501 [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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PDB5xev Crystal structure of a novel prolidase from Deinococcus radiodurans identifies new subfamily of bacterial prolidases.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D252 H323 E356 E377
Binding residue
(residue number reindexed from 1)		D251 H322 E355 E370
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H220 D240 A251 H319 H323 H330 T354 G358 R375 E377
Catalytic site (residue number reindexed from 1) H219 D239 A250 H318 H322 H329 T353 G357 R368 E370
Enzyme Commision number 3.4.13.9: Xaa-Pro dipeptidase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5xev, PDBe:5xev, PDBj:5xev
PDBsum5xev
PubMed28929533
UniProtQ9RX37

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