Structure of PDB 5k1l Chain B Binding Site BS02

Receptor Information
>5k1l 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 IDBZI
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
InChIKeyHYZJCKYKOHLVJF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)[nH]cn2
CACTVS 3.341[nH]1cnc2ccccc12
FormulaC7 H6 N2
NameBENZIMIDAZOLE
ChEMBLCHEMBL306226
DrugBankDB02962
ZINCZINC000000331902
PDB chain5k1l 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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PDB5k1l Dehaloperoxidase B from Amphitrite ornata: benzimidazole complex
Resolution1.08 Å
Binding residue
(original residue number in PDB)		F21 V59 L100
Binding residue
(residue number reindexed from 1)		F21 V59 L100
Annotation score1
Binding affinityBindingDB: Kd=1.10e+5nM
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:5k1l, PDBe:5k1l, PDBj:5k1l
PDBsum5k1l
PubMed
UniProtQ9NAV7

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