Structure of PDB 5s8l Chain A Binding Site BS01

Receptor Information
>5s8l 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 ID12Q
InChIInChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
InChIKeyQYEMNJMSULGQRD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN1c2ccccc2C=CC1=O
CACTVS 3.341CN1C(=O)C=Cc2ccccc12
ACDLabs 10.04O=C2C=Cc1c(cccc1)N2C
FormulaC10 H9 N O
Name1-METHYLQUINOLIN-2(1H)-ONE;
1-METHYL-2-QUINOLONE
ChEMBLCHEMBL216146
DrugBankDB04580
ZINCZINC000000336851
PDB chain5s8l 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]
PDB5s8l XChem group deposition
Resolution1.23 Å
Binding residue
(original residue number in PDB)		Y1350 S1392 Y1395 T1396 S1401 I1403
Binding residue
(residue number reindexed from 1)		Y35 S77 Y80 T81 S86 I88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5s8l, PDBe:5s8l, PDBj:5s8l
PDBsum5s8l
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

[Back to BioLiP]