Structure of PDB 7sjh Chain B Binding Site BS02

Receptor Information
>7sjh Chain B (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 ID9IU
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
InChIKeyXMGQYMWWDOXHJM-SNVBAGLBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CC1=CCC(CC1)C(C)=C
CACTVS 3.385CC(=C)[CH]1CCC(=CC1)C
CACTVS 3.385CC(=C)[C@H]1CCC(=CC1)C
OpenEye OEToolkits 2.0.7CC1=CCC(CC1)C(=C)C
OpenEye OEToolkits 2.0.7CC1=CC[C@H](CC1)C(=C)C
FormulaC10 H16
Name(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene;
S-(-)-limonene
ChEMBLCHEMBL236688
DrugBank
ZINCZINC000000968226
PDB chain7sjh Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sjh The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
Resolution1.87 Å
Binding residue
(original residue number in PDB)		F21 F35 Y38 F52 H55 T56 V59
Binding residue
(residue number reindexed from 1)		F21 F35 Y38 F52 H55 T56 V59
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7sjh, PDBe:7sjh, PDBj:7sjh
PDBsum7sjh
PubMed
UniProtQ9NAV7

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