Structure of PDB 5qhr Chain A Binding Site BS01

Receptor Information
>5qhr 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 IDGQS
InChIInChI=1S/C9H8FN3S/c1-6-12-13-9(14-6)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,11,13)
InChIKeyYJCLSQDDYPKKDX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1sc(Nc2cccc(F)c2)nn1
ACDLabs 12.01n2nc(Nc1cccc(c1)F)sc2C
OpenEye OEToolkits 2.0.6Cc1nnc(s1)Nc2cccc(c2)F
FormulaC9 H8 F N3 S
NameN-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
ChEMBL
DrugBank
ZINCZINC000000088862
PDB chain5qhr 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]
PDB5qhr PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
Resolution1.68 Å
Binding residue
(original residue number in PDB)		L119 D156 R160 Y163
Binding residue
(residue number reindexed from 1)		L110 D147 R151 Y154
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5qhr, PDBe:5qhr, PDBj:5qhr
PDBsum5qhr
PubMed
UniProtQ5T0W9|FA83B_HUMAN Protein FAM83B (Gene Name=FAM83B)

[Back to BioLiP]