Structure of PDB 5j54 Chain A Binding Site BS01

Receptor Information

>5j54 Chain A (length=479) Species: 279238 (Novosphingobium aromaticivorans DSM 12444)

AQFPNTPSFTGFNTPSRIEADIADLAHEGTIPQGLNGAFYRVQPDPQFPP
RLDDDIAFNGDGMITRFHIHDGQVDFRQRWAKTDKWKLENAAGKALFGAY
RNPLTDDEAVKGEIRSTANTNAFVFGGKLWAMKEDSPALVMDPATMETFG
FEKFGGKMTGQTFTAHPKVDPKTGNMVAIGYAASGLCTDDVTYMEVSPEG
ELVREVWFKVPYYCMMHDFGITEDYLVLHIVPSIGSWERLEQGKPHFGFD
TTMPVHLGIIPRRDGVRQEDIRWFTRDNCFASHVLNAWQEGTKIHFVTCE
AKNNMFPFFPDVHGAPFNGMEAMSHPTDWVVDMASNGEDFAGIVKLSDTA
AEFPRIDDRFTGQKTRHGWFLEMDMKRPVELLMNCLFHKDFETGREQHWW
CGPVSSLQEPCFVPRAKDAPEGDGWIVQVCNRLEEQRSDLLIFDALDIEK
GPVATVNIPIRLRFGLHGNWANADEIGLA

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: 5j54 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5j54 Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase.
• Resolution: 1.89 Å
• Binding residue (original residue number in PDB): H167 H218 H284 H476
• Binding residue (residue number reindexed from 1): H166 H217 H283 H467
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 1.13.11.-

Gene Ontology

Molecular Function

• GO:0010436 carotenoid dioxygenase activity
• GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

Biological Process

• GO:0016121 carotene catabolic process

External links

• PDB: RCSB:5j54, PDBe:5j54, PDBj:5j54
• PDBsum: 5j54
• PubMed: 27911781
• UniProt: Q2GA76