Structure of PDB 6vd4 Chain A Binding Site BS02

Receptor Information
>6vd4 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 IDMWJ
InChIInChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKeyIWJGMJHAIUBWKT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1cc(cc(C)c1O)Br
OpenEye OEToolkits 2.0.7Cc1cc(ccc1O)Br
CACTVS 3.385Cc1cc(Br)ccc1O
FormulaC7 H7 Br O
Name4-bromo-2-methylphenol
ChEMBLCHEMBL224022
DrugBank
ZINCZINC000000054688
PDB chain6vd4 Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vd4 Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
Resolution1.954 Å
Binding residue
(original residue number in PDB)		F21 F35 H55 T56 V59
Binding residue
(residue number reindexed from 1)		F21 F35 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:6vd4, PDBe:6vd4, PDBj:6vd4
PDBsum6vd4
PubMed
UniProtQ9NAV7

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