Structure of PDB 7qr6 Chain B Binding Site BS02

Receptor Information
>7qr6 Chain B (length=476) Species: 48935 (Novosphingobium aromaticivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNTPSFTGFNTPSRIEADIADLAHEGTIPQGLNGAFYRVQPDPQFPPRLD
DDIAFNGDGMITRFHIHDGQVDFRQRWAKTDKWKLENAAGKALFGAYRNP
LTDDEAVKGEIRSTANTNAFVFGGKLWAMKEDSPALVMDPATMETFGFEK
FGGKMTGQTFTAHPKVDPKTGNMVAIGYAASGLCTDDVTYMEVSPEGELV
REVWFKVPYYCMMHDFGITEDYLVLHIVPSIGSWERLEQGKPHFGFDTTM
PVHLGIIPRRDGVRQEDIRWFTRDNCFAFHVLNAWQEGTKIHFVTCEAKN
NMFPFFPDVHGAPFNGMEAMSHPTDWVVDMASNGEDFAGIVKLSDTAAEF
PRIDDRFTGQKTRHGWFLEMDMKRPVELLMNCLFHKDFETGREQHWWCGP
VSSLQEPCFVPRAKDAPEGDGWIVQVCNRLEEQRSDLLIFDALDIEKGPV
ATVNIPIRLRFGLHGNWANADEIGLA
Ligand information
Ligand IDOXY
InChIInChI=1S/O2/c1-2
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O=O
FormulaO2
NameOXYGEN MOLECULE
ChEMBLCHEMBL1234886
DrugBankDB09140
ZINC
PDB chain7qr6 Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7qr6 Rationally Guided Improvement of NOV1 Dioxygenase for the Conversion of Lignin-Derived Isoeugenol to Vanillin.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H218 H284 H476
Binding residue
(residue number reindexed from 1)		H214 H280 H464
Annotation score4
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7qr6, PDBe:7qr6, PDBj:7qr6
PDBsum7qr6
PubMed35687874
UniProtQ2GA76

[Back to BioLiP]