Structure of PDB 4yat Chain B Binding Site BS01

Receptor Information

>4yat Chain B (length=172) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NEDWCAVCQNGGELLCCEKCPKVFHLSCHVPTLTNFPSGEWICTFCRDLS
KPEVEYDCDKKTEGLVKLTPIDKRKCERLLLFLYCHEMSLAFQDPVPLTV
PDYYKIIKNPMDLSTIKKRLQESMYSKPEDFVADFRLIFQNCAEFNEPDS
EVANAGIKLENYFEELLKNLYP

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

4yat Chain B Residue 1101 [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	4yat Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
Resolution	2.18 Å
Binding residue (original residue number in PDB)	C829 C832 H849 C852
Binding residue (residue number reindexed from 1)	C5 C8 H25 C28
Annotation score	4

Enzymatic activity

Enzyme Commision number

2.3.2.27: RING-type E3 ubiquitin transferase.

External links

PDB	RCSB:4yat, PDBe:4yat, PDBj:4yat
PDBsum	4yat
PubMed	26061247
UniProt	O15164\|TIF1A_HUMAN Transcription intermediary factor 1-alpha (Gene Name=TRIM24)

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