Structure of PDB 5rkj Chain A Binding Site BS01

Receptor Information
>5rkj 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 IDUWY
InChIInChI=1S/C11H17N3O/c1-2-14-8-10(7-12-14)13-11(15)9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,15)
InChIKeyGXDSBWMCMQHCOL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCn1cc(cn1)NC(=O)C2CCCC2
ACDLabs 12.01N(c1cnn(c1)CC)C(=O)C2CCCC2
CACTVS 3.385CCn1cc(NC(=O)C2CCCC2)cn1
FormulaC11 H17 N3 O
NameN-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
ChEMBL
DrugBank
ZINCZINC000058393643
PDB chain5rkj 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

[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]
PDB5rkj PanDDA analysis group deposition of ground-state model
Resolution1.46 Å
Binding residue
(original residue number in PDB)		P1340 V1345 D1346 Y1350 Y1395 I1403
Binding residue
(residue number reindexed from 1)		P25 V30 D31 Y35 Y80 I88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5rkj, PDBe:5rkj, PDBj:5rkj
PDBsum5rkj
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

[Back to BioLiP]