Structure of PDB 5s98 Chain A Binding Site BS01

Receptor Information

>5s98 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/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)

FQIUCPGDKPXSLL-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	OC(=O)c1cncc(Br)c1
OpenEye OEToolkits 2.0.7	c1c(cncc1Br)C(=O)O
ACDLabs 12.01	c1(Br)cc(cnc1)C(O)=O

Formula

C6 H4 Br N O2

Name

5-bromopyridine-3-carboxylic acid

ZINC000000039490

PDB chain

5s98 Chain A Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	5s98 Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
Resolution	1.1 Å
Binding residue (original residue number in PDB)	V1345 Y1350 S1392 Y1395 T1396 P1397 S1401 I1403
Binding residue (residue number reindexed from 1)	V30 Y35 S77 Y80 T81 P82 S86 I88
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5s98, PDBe:5s98, PDBj:5s98
PDBsum	5s98
PubMed
UniProt	Q8WWQ0\|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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