Structure of PDB 5qhp Chain A Binding Site BS01

Receptor Information
>5qhp 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 IDGQM
InChIInChI=1S/C10H10N2O2/c1-14-7-2-3-8(10(13)6-7)9-4-5-11-12-9/h2-6,13H,1H3,(H,11,12)
InChIKeyKCSNRNYLTIFFOZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc(c(O)c1)c2cc[nH]n2
OpenEye OEToolkits 2.0.6COc1ccc(c(c1)O)c2cc[nH]n2
FormulaC10 H10 N2 O2
Name5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol
ChEMBL
DrugBank
ZINCZINC000000187296
PDB chain5qhp 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

[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]
PDB5qhp PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
Resolution2.06 Å
Binding residue
(original residue number in PDB)		V35 A37 Y63 L119 D121 C122 D156 F159 R160 Y163
Binding residue
(residue number reindexed from 1)		V33 A35 Y61 L110 D112 C113 D147 F150 R151 Y154
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5qhp, PDBe:5qhp, PDBj:5qhp
PDBsum5qhp
PubMed
UniProtQ5T0W9|FA83B_HUMAN Protein FAM83B (Gene Name=FAM83B)

[Back to BioLiP]