Structure of PDB 5rkn Chain A Binding Site BS01

Receptor Information
>5rkn 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 IDNUA
InChIInChI=1S/C10H15N3O/c1-2-13-7-9(6-11-13)12-10(14)8-4-3-5-8/h6-8H,2-5H2,1H3,(H,12,14)
InChIKeyUVTFDTBDFQZRHD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCn1cc(cn1)NC(=O)C2CCC2
ACDLabs 12.01n1(CC)ncc(c1)NC(=O)C2CCC2
CACTVS 3.385CCn1cc(NC(=O)C2CCC2)cn1
FormulaC10 H15 N3 O
NameN-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
ChEMBL
DrugBank
ZINCZINC000058393661
PDB chain5rkn 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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PDB5rkn PanDDA analysis group deposition of ground-state model
Resolution1.23 Å
Binding residue
(original residue number in PDB)		P1340 Q1343 P1344 V1345 D1346 Y1350 Y1395 I1403
Binding residue
(residue number reindexed from 1)		P25 Q28 P29 V30 D31 Y35 Y80 I88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5rkn, PDBe:5rkn, PDBj:5rkn
PDBsum5rkn
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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