Structure of PDB 5rkc Chain A Binding Site BS01

Receptor Information
>5rkc 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 IDUWD
InChIInChI=1S/C8H10N4/c1-9-6-8-11-10-7-4-2-3-5-12(7)8/h2-5,9H,6H2,1H3
InChIKeyUQXCTICEXNDHAR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNCc1nnc2ccccn12
OpenEye OEToolkits 2.0.7CNCc1nnc2n1cccc2
ACDLabs 12.01n2c(n1ccccc1n2)CNC
FormulaC8 H10 N4
NameN-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
ChEMBL
DrugBank
ZINCZINC000019507445
PDB chain5rkc 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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PDB5rkc PanDDA analysis group deposition of ground-state model
Resolution1.24 Å
Binding residue
(original residue number in PDB)		V1345 Y1350 S1392 Y1395 T1396 S1401 I1403
Binding residue
(residue number reindexed from 1)		V30 Y35 S77 Y80 T81 S86 I88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5rkc, PDBe:5rkc, PDBj:5rkc
PDBsum5rkc
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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