Structure of PDB 5dqe Chain B Binding Site BS02

Receptor Information

>5dqe Chain B (length=208) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQAPPLESVDVRQIY
DKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWGGFYGVSSQYESLEHMT
LTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLHKL
RQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQHH
IYRLVRDV

Ligand information

Ligand ID

5E4

InChI

InChI=1S/C13H10BrNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)

InChIKey

IRGQJNUPNQPHQP-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	OC(=O)c1ccccc1Nc2cc(Br)ccc2
CACTVS 3.385	OC(=O)c1ccccc1Nc2cccc(Br)c2
OpenEye OEToolkits 1.9.2	c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br

Formula

C13 H10 Br N O2

Name

2-[(3-bromophenyl)amino]benzoic acid

PDB chain

5dqe Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5dqe Targeting the Central Pocket in Human Transcription Factor TEAD as a Potential Cancer Therapeutic Strategy.
Resolution	2.183 Å
Binding residue (original residue number in PDB)	K277 K301 W303 E404 V427 E429
Binding residue (residue number reindexed from 1)	K52 K76 W78 E164 V187 E189
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5dqe, PDBe:5dqe, PDBj:5dqe
PDBsum	5dqe
PubMed	26592798
UniProt	Q15562\|TEAD2_HUMAN Transcriptional enhancer factor TEF-4 (Gene Name=TEAD2)

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