Structure of PDB 2gbx Chain C Binding Site BS02

Receptor Information

>2gbx Chain C (length=446) Species: 13690 (Sphingobium yanoikuyae)

TLVDTVNASQSRQVFWDEDVYALEIERIFSRAWLMLGHESLVPKPGDFIT
TYMAEDKVILSHQSDGTFRAFINSCSHRGNQICHADSGNAKAFVCNYHGW
VFGQDGSLVDVPLESRCYHNSLDKQKLAAKSVRVETYKGFIFGCHDPEAP
SLEDYLGEFRYYLDTIWEGAGGGMELLGPPMKSLLQCNWKVPAENFIGDG
YHVGWTHAAALSQIGGELAGLAGNRADIPFDDLGLQFTTRHGHGFGVIDN
AAAGLHIKREGWTKFLEDTRGEVRRKFGPERERLYLGHWNCSIFPNCSFL
YGTNTFKIWHPRGPHEIEVWTYTIVPRDADPATKSMIQREAIRTFGTAGT
LESDDGENMSSATYINRGVITRNGRMNSTMGVGYEGPHPVYPGIVGISFI
GETSYRGFYRFWKEMIDAPDWASVKANDDTWDSVFPNRNFWNEKLN

Ligand information

• Ligand ID: FES
• InChI: InChI=1S/2Fe.2S
• InChIKey: NIXDOXVAJZFRNF-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: [Fe]1S[Fe]S1
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: S1[Fe]S[Fe]1
• Formula: Fe2 S2
• Name: FE2/S2 (INORGANIC) CLUSTER
• PDB chain: 2gbx Chain C Residue 455

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2gbx Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): C80 H82 R83 C100 Y102 H103 W105
• Binding residue (residue number reindexed from 1): C75 H77 R78 C95 Y97 H98 W100
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H103 D204 H207 H212 D360
• Catalytic site (residue number reindexed from 1): H98 D199 H202 H207 D355

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:0009056 catabolic process
• GO:0044237 cellular metabolic process

External links

• PDB: RCSB:2gbx, PDBe:2gbx, PDBj:2gbx
• PDBsum: 2gbx
• PubMed: 17349044
• UniProt: A2TC87