Structure of PDB 7cn3 Chain B Binding Site BS02

Receptor Information

>7cn3 Chain B (length=348) Species: 160488 (Pseudomonas putida KT2440)

PVSNAQLTQMFEHVLKLSRVDETQSVAVLKSHYSDPRTVNAAMEAAQRLK
AKVYAVELPAFNHPTAMGNDMTAYCGDTALTGNLAAQRALEAADLVVDTM
MLLHSPEQEQILKTGTRILLAVEPPEVLARMLPTEDDKRRVLAAETLLKQ
ARSLHVRSKAGSDFHAPLGQYPAVTEYGYADEPGRWDHWPSGFLFTWPNE
DSAEGTLVLDVGDIILPFKNYCRERITLEIEKGFITGIHGGFEAEYLRDY
MKYFNDPEVYGISHIGWGLQPRAQWTAMGLHDRNDGMCMDARAFYGNFLF
STGPNTEVGGKRKTPCHLDIPLRNCDIYLDDKAVVLAGDVVAPEESRA

Ligand information

• Ligand ID: D6O
• InChI: InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-
• InChIKey: HSKSAKBZUITULZ-UPHRSURJSA-N
• SMILES:
  CACTVS 3.385: OC(=O)\C=C/C(=O)NC=O
  OpenEye OEToolkits 2.0.7: C(=CC(=O)O)C(=O)NC=O
  OpenEye OEToolkits 2.0.7: C(=C\C(=O)O)\C(=O)NC=O
  CACTVS 3.385: OC(=O)C=CC(=O)NC=O
• Formula: C5 H5 N O4
• Name: (~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid
• ZINC: ZINC000100084064
• PDB chain: 7cn3 Chain B Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7cn3 2,5-dihydroxypridine Dioxygenase in complex with 2,5-dihydroxypridine and product N-formylmaleamic acid
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): M102 E177 M288 M290
• Binding residue (residue number reindexed from 1): M101 E176 M287 M289
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 1.13.11.9: 2,5-dihydroxypyridine 5,6-dioxygenase.

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0047075 2,5-dihydroxypyridine 5,6-dioxygenase activity

Biological Process

• GO:0009056 catabolic process
• GO:1901848 nicotinate catabolic process

External links

• PDB: RCSB:7cn3, PDBe:7cn3, PDBj:7cn3
• PDBsum: 7cn3
• UniProt: Q88FY1|NICX_PSEPK 2,5-dihydroxypyridine 5,6-dioxygenase (Gene Name=nicX)