Structure of PDB 7sjg Chain A Binding Site BS03

Receptor Information
>7sjg Chain A (length=137) Species: 129555 (Amphitrite ornata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFKQDIATLRGDLRTYAQDIFLAFLNKYPDEKRNFKNYVGKSDQELKSMA
KFGDHTEKVFNLMMEVADRATDCVPLASDASTLVQMKQHSGLTTGNFEKL
FVALVEYMRASGQSFDSQSWDRFGKNLVSALSSAGMK
Ligand information
Ligand ID9IX
InChIInChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3
InChIKeyOQIOHYHRGZNZCW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c(cc1O)C(C)C)O
ACDLabs 12.01
CACTVS 3.385		CC(C)c1cc(O)c(C)cc1O
FormulaC10 H14 O2
Name2-methyl-5-(propan-2-yl)benzene-1,4-diol;
Thymoquinone
ChEMBLCHEMBL4204349
DrugBank
ZINCZINC000100292063
PDB chain7sjg Chain A Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sjg The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D72 C73 S119 R122
Binding residue
(residue number reindexed from 1)		D72 C73 S119 R122
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0005344 oxygen carrier activity
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0015671 oxygen transport
GO:0098869 cellular oxidant detoxification

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Molecular Function
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Biological Process
External links
PDB RCSB:7sjg, PDBe:7sjg, PDBj:7sjg
PDBsum7sjg
PubMed
UniProtQ9NAV7

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