Structure of PDB 5s9j Chain A Binding Site BS01

Receptor Information
>5s9j 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 ID3M0
InChIInChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKeyWNAJXPYVTFYEST-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cccc(C(O)=O)c1N
ACDLabs 12.01O=C(O)c1cccc(c1N)C
OpenEye OEToolkits 1.9.2Cc1cccc(c1N)C(=O)O
FormulaC8 H9 N O2
Name2-azanyl-3-methyl-benzoic acid;
3-methylanthranilate
ChEMBL
DrugBank
ZINCZINC000000404287
PDB chain5s9j 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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PDB5s9j Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
Resolution1.15 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:5s9j, PDBe:5s9j, PDBj:5s9j
PDBsum5s9j
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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