Structure of PDB 4r60 Chain A Binding Site BS01

Receptor Information

>4r60 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: 4r60 Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4r60 Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): D251 D262 E374
• Binding residue (residue number reindexed from 1): 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:4r60, PDBe:4r60, PDBj:4r60
• PDBsum: 4r60
• UniProt: Q8P839