Structure of PDB 5fch Chain A Binding Site BS02

Receptor Information

>5fch Chain A (length=398) Species: 190485 (Xanthomonas campestris pv. campestris str. ATCC 33913)

STQIGGMSLDQARTQLAPWTQRAAPIGADEYQQRIERARVLMRAQGVDAL
LIGAGTSLRYFSGVPWGASERLVALLLTTEGDPVLICPAFEEGSLDAVLQ
LPVRKRLWEEHEDPYALVVQAMDEQHAHALALDPGIAFAVHTGLRAHLGT
AIRDAGAIIDGCRMCKSPAELALMQQACDMTLLVQRLAAGIAHEGIGTDQ
LVRFIDEAHRALGADNGSTFCIVQFGHATAFPHGIPGVQHLRAGELVLID
TGCTVQGYHSDITRTWIYGTPSDAQQRIWELELAAQAAAFAAVRPGVACE
AVDQAARAVLQAAGLGPDYRLPGLPHRTGHGCGLAIHEAPYLVRGNRQPL
QPGMCASNEPMIVVPGAFGVRLEDHFYVTDTGAQWFTPPSVAIDQPFA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5fch Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5fch Crystal structure and biochemical investigations reveal novel mode of substrate selectivity and illuminate substrate inhibition and allostericity in a subfamily of Xaa-Pro dipeptidases
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): D262 H331 E360 E374
• Binding residue (residue number reindexed from 1): D261 H330 E359 E373
• Annotation score: 1

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 D250 D261 T263 H326 H330 H337 E359 V363 R371 E373
• Enzyme Commision number: 3.4.13.9: Xaa-Pro dipeptidase.

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:5fch, PDBe:5fch, PDBj:5fch
• PDBsum: 5fch
• PubMed: 27816563
• UniProt: Q8P839