Structure of PDB 4qup Chain A Binding Site BS02

Receptor Information

>4qup Chain A (length=414) Species: 266834 (Sinorhizobium meliloti 1021)

GTENLYFQSMMTANPTSIHQRLDRRLSGFSLEQPFYTSPEVYALDLQHIF
YKQWLYAVPVCQLAKAGSYTTLRVGAYEVVIVRSRDGEVRAFHNSCRHRG
SLICKARQGQVAKLVCPYHQWTYELDGKLIWANDMGPDFDASKYGLKPVN
LRNLDGLIYICLSDTPPDFQTFAQLARPYLEVHDLKDAKVAFTSTIIEKG
NWKLVWENNRECYHCSSNHPALCRSFPDPEVAGVQADGGVSKKLQAHFDR
CEAAGTPAQFVLAGDGQYRLARMPLQEKALSYTMDGKAAVSRHLGRVAPP
DAGTLLMFHYPSTWNHFLPDHSLTFRVMPISPTETEVTTTWLVHKDAVEG
VDYDLKRLTEVWIATNDEDREIVETNQQGILSPAYVPGPYSPGQESGVMQ
FVDWYAASLERALA

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 4qup Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4qup Tracking photoelectron induced in-crystallo enzyme catalysis
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): H204 H209 D360
• Binding residue (residue number reindexed from 1): H214 H219 D369
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H109 E201 H204 H209 N357
• Catalytic site (residue number reindexed from 1): H119 E211 H214 H219 N366
• Enzyme Commision number: 1.-.-.-

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity
• GO:0051537 2 iron, 2 sulfur cluster binding

Biological Process

• GO:0044237 cellular metabolic process

External links

• PDB: RCSB:4qup, PDBe:4qup, PDBj:4qup
• PDBsum: 4qup
• UniProt: Q92ZP9