Structure of PDB 7t9e Chain AAA Binding Site BS02

Receptor Information
>7t9e Chain AAA (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 IDGH9
InChIInChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
InChIKeyCCEFMUBVSUDRLG-KXUCPTDWSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CC12CCC(CC2O1)C(=C)C
OpenEye OEToolkits 2.0.7CC(=C)C1CCC2(C(C1)O2)C
CACTVS 3.385CC(=C)[CH]1CC[C]2(C)O[CH]2C1
OpenEye OEToolkits 2.0.7CC(=C)[C@@H]1CC[C@@]2([C@H](C1)O2)C
CACTVS 3.385CC(=C)[C@@H]1CC[C@@]2(C)O[C@H]2C1
FormulaC10 H16 O
Name(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane;
+(-)-limonene oxide
ChEMBL
DrugBankDB02924
ZINCZINC000002545304
PDB chain7t9e Chain AAA Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7t9e The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
Resolution1.57 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

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Molecular Function
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Biological Process
External links
PDB RCSB:7t9e, PDBe:7t9e, PDBj:7t9e
PDBsum7t9e
PubMed
UniProtQ9NAV7

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