Structure of PDB 5rjj Chain A Binding Site BS01

Receptor Information
>5rjj 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 IDHH8
InChIInChI=1S/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H
InChIKeyQYXNSNJTMIEAPG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Brc1ccnc2ncccc12
OpenEye OEToolkits 2.0.6c1cc2c(ccnc2nc1)Br
FormulaC8 H5 Br N2
Name4-bromanyl-1,8-naphthyridine
ChEMBL
DrugBank
ZINCZINC000036533204
PDB chain5rjj 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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PDB5rjj PanDDA analysis group deposition of ground-state model
Resolution1.151 Å
Binding residue
(original residue number in PDB)		Y1350 S1392 Y1395 T1396 I1403
Binding residue
(residue number reindexed from 1)		Y35 S77 Y80 T81 I88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5rjj, PDBe:5rjj, PDBj:5rjj
PDBsum5rjj
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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