Structure of PDB 6vdy Chain B Binding Site BS02

Receptor Information
>6vdy 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 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 chain6vdy Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6vdy Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F21 F35 Y38 H55 V59
Binding residue
(residue number reindexed from 1)		F21 F35 Y38 H55 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:6vdy, PDBe:6vdy, PDBj:6vdy
PDBsum6vdy
PubMed
UniProtQ9NAV7

[Back to BioLiP]