Structure of PDB 5fch Chain B Binding Site BS03

Receptor Information
>5fch Chain B (length=395) Species: 190485 (Xanthomonas campestris pv. campestris str. ATCC 33913) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STQIGGMSLDQARTQLAPWTQRAAPIGADEYQQRIERARVLMRAQGVDAL
LIGAGTSLRYFSGVPWGASERLVALLLTTEGDPVLICPAFEEGSLDAVLQ
LPVRKRLWEEHEDPYALVVQAMDEQHAHALALDPGIAFAVHTGLRAHLGT
AIRDAGAIIDGCRMCKSPAELALMQQACDMTLLVQRLAAGIAHEGIGTDQ
LVRFIDEAHRALGADNGSTFCIVQFGHATAFPHGVQHLRAGELVLIDTGC
TVQGYHSDITRTWIYGTPSDAQQRIWELELAAQAAAFAAVRPGVACEAVD
QAARAVLQAAGLGPDYRLPGLPHRTGHGCGLAIHEAPYLVRGNRQPLQPG
MCASNEPMIVVPGAFGVRLEDHFYVTDTGAQWFTPPSVAIDQPFA
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 chain5fch Chain B Residue 402 [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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PDB5fch Crystal structure and biochemical investigations reveal novel mode of substrate selectivity and illuminate substrate inhibition and allostericity in a subfamily of Xaa-Pro dipeptidases
Resolution1.95 Å
Binding residue
(original residue number in PDB)
D251 D262 E374
Binding residue
(residue number reindexed from 1)
D247 D258 E370
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H234 D251 D262 T264 H327 H331 H338 E360 V364 R372 E374
Catalytic site (residue number reindexed from 1) H233 D247 D258 T260 H323 H327 H334 E356 V360 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:5fch, PDBe:5fch, PDBj:5fch
PDBsum5fch
PubMed27816563
UniProtQ8P839

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