Structure of PDB 1ukw Chain B Binding Site BS01

Receptor Information

>1ukw Chain B (length=379) Species: 274 (Thermus thermophilus)

IDFSLTEEQRQLQALARRFAKEVILPVAQEYDEKEEVPWPVIEKLHEVGL
LNAIIPEEYGGMGLKMLDEVIVGEELAYACMGIYTIPMASDLGITPVLLA
GTEEQKERFLRPLTEKPALAAFALSEPGNGSDAAALKTRAIRQGDHYVLN
GTKMWISNGGEAEWVVVFATVNPELRHKGVVALVVERGTPGFKAIKIHGK
MGQRASGTYELVFEDVKVPVENRLGEEGEGFKIAMQTLNKTRIPVAAGSV
GVARRALDEARKYAKEREAFGEPIANFQAIQFKLVDMLIGIETARMYTYY
AAWLADQGLPHAHASAIAKAYASEIAFEAANQAIQIHGGYGYVREFPVEK
LLRDVKLNQIYEGTNEIQRLIIARHILAA

Ligand information

• Ligand ID: CO
• InChI: InChI=1S/Co/q+2
• InChIKey: XLJKHNWPARRRJB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Co+2]
  CACTVS 3.341: [Co++]
• Formula: Co
• Name: COBALT (II) ION
• DrugBank: DB14205
• PDB chain: 1ukw Chain B Residue 411

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ukw Crystal structure of Thermus thermophilus medium-chain acyl-CoA dehydrogenase
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): D176 H177
• Binding residue (residue number reindexed from 1): D145 H146
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): L155 S156 T272 E393 R405
• Catalytic site (residue number reindexed from 1): L124 S125 T241 E362 R374
• Enzyme Commision number: 1.3.99.-

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003995 acyl-CoA dehydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
• GO:0050660 flavin adenine dinucleotide binding

External links

• PDB: RCSB:1ukw, PDBe:1ukw, PDBj:1ukw
• PDBsum: 1ukw
• UniProt: Q72JJ3