Structure of PDB 5fcf Chain A Binding Site BS03

Receptor Information

>5fcf Chain A (length=397) Species: 190485 (Xanthomonas campestris pv. campestris str. ATCC 33913)

TQIGGMSLDQARTQLAPWTQRAAPIGADEYQQRIERARVLMRAQGVDALL
IGAGTSLRYFSGVPWGASERLVALLLTTEGDPVLICPAFEEGSLDAVLQL
PVRKRLWEEHEDPYALVVQAMDEQHAHALALDPGIAFAVHTGLRAHLGTA
IRDAGAIIDGCRMCKSPAELALMQQACDMTLLVQRLAAGIAHEGIGTDQL
VRFIDEAHRALGADNGSTFCIVQFGHATAFPHGIPGVQHLRAGELVLIDT
GCTVQGYHSDITRTWIYGTPSDAQQRIWELELAAQAAAFAAVRPGVACEA
VDQAARAVLQAAGLGPDYRLPGLPHRTGHGCGLAIHEAPYLVRGNRQPLQ
PGMCASNEPMIVVPGAFGVRLEDHFYVTDTGAQWFTPPSVAIDQPFA

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 5fcf Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5fcf 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: 1.85 Å
• Binding residue (original residue number in PDB): F221 D251 D262 E374
• Binding residue (residue number reindexed from 1): F219 D249 D260 E372
• 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): H232 D249 D260 T262 H325 H329 H336 E358 V362 R370 E372
• Enzyme Commision number: 3.4.13.9: Xaa-Pro dipeptidase.

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

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