Structure of PDB 5vh0 Chain A Binding Site BS01

Receptor Information
>5vh0 Chain A (length=49) Species: 2280 (Staphylothermus marinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INETADDIVYRLTVIIDDRYESLKNLITLRADRLEMIINDNVSTILASI
Ligand information
Ligand ID8P0
InChIInChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
InChIKeyBBEAQIROQSPTKN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2ccc3cccc4c3c2c(c1)cc4
ACDLabs 12.01c1cc4c3c(c1)ccc2cccc(c23)cc4
CACTVS 3.385c1cc2ccc3cccc4ccc(c1)c2c34
FormulaC16 H10
Namepyrene
ChEMBLCHEMBL279564
DrugBank
ZINCZINC000001758808
PDB chain5vh0 Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vh0 Proteinaceous Nano container Encapsulate Polycyclic Aromatic Hydrocarbons.
Resolution2.055 Å
Binding residue
(original residue number in PDB)		I19 R22 Y23
Binding residue
(residue number reindexed from 1)		I16 R19 Y20
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links