Structure of PDB 5s8x Chain A Binding Site BS01

Receptor Information

>5s8x 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/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)

VPHHJAOJUJHJKD-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	Clc1ccc(C(=O)O)cc1Cl
CACTVS 3.341	OC(=O)c1ccc(Cl)c(Cl)c1
OpenEye OEToolkits 1.5.0	c1cc(c(cc1C(=O)O)Cl)Cl

Formula

C7 H4 Cl2 O2

Name

3,4-dichlorobenzoate

ZINC000000388271

PDB chain

5s8x Chain A Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure 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]

PDB	5s8x Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
Resolution	1.15 Å
Binding residue (original residue number in PDB)	Y1350 S1392 Y1395 P1397 S1401 I1403
Binding residue (residue number reindexed from 1)	Y35 S77 Y80 P82 S86 I88
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5s8x, PDBe:5s8x, PDBj:5s8x
PDBsum	5s8x
PubMed
UniProt	Q8WWQ0\|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

[Back to BioLiP]