Structure of PDB 5s8j Chain A Binding Site BS01

Receptor Information
>5s8j Chain A (length=125) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFAT
VRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFFE
EHISSVLSDYKSALRFHKRNTITKR
Ligand information
Ligand ID54Y
InChIInChI=1S/C6H8ClN3O/c1-8-6(11)4-3-9-10(2)5(4)7/h3H,1-2H3,(H,8,11)
InChIKeyGWOXCPZAAJXFDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n1n(C)c(c(C(=O)NC)c1)Cl
OpenEye OEToolkits 1.9.2CNC(=O)c1cnn(c1Cl)C
CACTVS 3.385CNC(=O)c1cnn(C)c1Cl
FormulaC6 H8 Cl N3 O
Name5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide
ChEMBL
DrugBank
ZINCZINC000013466607
PDB chain5s8j Chain A Residue 1501 [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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PDB5s8j XChem group deposition
Resolution1.21 Å
Binding residue
(original residue number in PDB)		F1341 S1392 Y1395 T1396 I1403
Binding residue
(residue number reindexed from 1)		F26 S77 Y80 T81 I88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5s8j, PDBe:5s8j, PDBj:5s8j
PDBsum5s8j
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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