Structure of PDB 5rjs Chain A Binding Site BS01

Receptor Information
>5rjs Chain A (length=119) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFAT
VRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFFE
EHISSVLSDYKSALRFHKR
Ligand information
Ligand IDUUP
InChIInChI=1S/C10H10N4O/c15-10(13-7-2-3-7)8-6-12-14-5-1-4-11-9(8)14/h1,4-7H,2-3H2,(H,13,15)
InChIKeyIDVABKGFSZEUEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnc2c(cnn2c1)C(=O)NC3CC3
ACDLabs 12.01n1n3cccnc3c(c1)C(NC2CC2)=O
CACTVS 3.385O=C(NC1CC1)c2cnn3cccnc23
FormulaC10 H10 N4 O
NameN-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000043522977
PDB chain5rjs Chain A Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5rjs PanDDA analysis group deposition of ground-state model
Resolution1.37 Å
Binding residue
(original residue number in PDB)		V1345 Y1350 S1392 Y1395 T1396 I1403
Binding residue
(residue number reindexed from 1)		V30 Y35 S77 Y80 T81 I88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5rjs, PDBe:5rjs, PDBj:5rjs
PDBsum5rjs
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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