Structure of PDB 6vd5 Chain B Binding Site BS01

Receptor Information
>6vd5 Chain B (length=132) Species: 129555 (Amphitrite ornata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFKQDIATLRGDLRTYAQDIFLAFLNKYPDEKRNFKNYVGKSDQELKSMA
KFGDHTEKVFNLMMEVADRATDCVPLASDASTLVQMLTTGNFEKLFVALV
EYMRASGQSFDSQSWDRFGKNLVSALSSAGMK
Ligand information
Ligand IDT6C
InChIInChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyLINPIYWFGCPVIE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c(cc(c(c1Cl)O)Cl)Cl
CACTVS 3.370Oc1c(Cl)cc(Cl)cc1Cl
ACDLabs 12.01Clc1cc(Cl)cc(Cl)c1O
FormulaC6 H3 Cl3 O
Name2,4,6-trichlorophenol
ChEMBLCHEMBL309917
DrugBank
ZINCZINC000000391974
PDB chain6vd5 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vd5 Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
Resolution1.64 Å
Binding residue
(original residue number in PDB)		F21 F35 Y38 H55
Binding residue
(residue number reindexed from 1)		F21 F35 Y38 H55
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:6vd5, PDBe:6vd5, PDBj:6vd5
PDBsum6vd5
PubMed
UniProtQ9NAV7

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