Structure of PDB 5qhi Chain A Binding Site BS01

Receptor Information
>5qhi Chain A (length=169) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTHIDLLFHPPRAHLLTIKETIRKMIKEARKVIALVMDIFTDVDIFKEIV
EASTRGVSVYILLDESNFNHFLNMTEKQGCSVQRLRNIRVRTVKGQDYLS
KTGAKFHGKMEQKFLLVDCQKVMYGSYSYMWSFEKAHLSMVQIITGQLVE
SFDEEFRTLYARSCVPSSF
Ligand information
Ligand IDGOJ
InChIInChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChIKeyKACZQOKEFKFNDB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOC(=O)c1c[nH]nc1
FormulaC6 H8 N2 O2
Nameethyl 1~{H}-pyrazole-4-carboxylate
ChEMBLCHEMBL4461273
DrugBank
ZINCZINC000000409316
PDB chain5qhi Chain A Residue 310 [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]
PDB5qhi PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
Resolution1.73 Å
Binding residue
(original residue number in PDB)		Y177 C236 D270 F273 R274 Y277
Binding residue
(residue number reindexed from 1)		Y60 C119 D153 F156 R157 Y160
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5qhi, PDBe:5qhi, PDBj:5qhi
PDBsum5qhi
PubMed
UniProtQ5T0W9|FA83B_HUMAN Protein FAM83B (Gene Name=FAM83B)

[Back to BioLiP]