Structure of PDB 5qhq Chain A Binding Site BS01

Receptor Information
>5qhq Chain A (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGTHIDLLFHPPRAHLLTIKETIRKMIKEARKVIALVMDIFTDVDIFKEI
VEASTRGVSVYILLDESNFNHFLNMTEKQGCSVQRLRNIRVRTVKGQDYF
HGKMEQKFLLVDCQKVMYGSYSYMWSFEKAHLSMVQIITGQLVESFDEEF
RTLYARSCVPSSFA
Ligand information
Ligand IDGQP
InChIInChI=1S/C14H11FN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2
InChIKeyQLQZBMMYHJKDSH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1ccc(Cn2cnc3ccccc23)cc1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)ncn2Cc3ccc(cc3)F
FormulaC14 H11 F N2
Name1-[(4-fluorophenyl)methyl]benzimidazole
ChEMBLCHEMBL1541796
DrugBank
ZINCZINC000000210331
PDB chain5qhq Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5qhq PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
Resolution1.96 Å
Binding residue
(original residue number in PDB)		Y63 I64 L65 R92 R94 F159 R160 Y163
Binding residue
(residue number reindexed from 1)		Y61 I62 L63 R90 R92 F150 R151 Y154
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5qhq, PDBe:5qhq, PDBj:5qhq
PDBsum5qhq
PubMed
UniProtQ5T0W9|FA83B_HUMAN Protein FAM83B (Gene Name=FAM83B)

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