Structure of PDB 5rjq Chain A Binding Site BS02

Receptor Information

>5rjq 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

InChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)

RNRCAQYXOAHKGD-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	COc1cc(Br)ccc1CC(O)=O
OpenEye OEToolkits 2.0.6	COc1cc(ccc1CC(=O)O)Br

Formula

C9 H9 Br O3

Name

2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid

ZINC000079362741

PDB chain

5rjq Chain A Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	5rjq PanDDA analysis group deposition of ground-state model
Resolution	1.35 Å
Binding residue (original residue number in PDB)	P1340 F1341 V1345 Y1350 S1392 Y1395 T1396 I1403 Y1404
Binding residue (residue number reindexed from 1)	P25 F26 V30 Y35 S77 Y80 T81 I88 Y89
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5rjq, PDBe:5rjq, PDBj:5rjq
PDBsum	5rjq
PubMed
UniProt	Q8WWQ0\|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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