Structure of PDB 5h1t Chain A Binding Site BS02

Receptor Information

>5h1t Chain A (length=172) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NEDWCAVCQNGGELLCCEKCPKVFHLSCHVPTLTNFPSGEWICTFCRDLS
KPEVEYDKKTEGLVKLTPIDKRKCERLLLFLYCHEMSLAFQDPVPLTVPD
YYKIIKNPMDLSTIKKRLQEDYSMYSKPEDFVADFRLIFQNCAEFNEPDS
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

5h1t Chain A Residue 1102 [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	5h1t The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
Resolution	1.951 Å
Binding residue (original residue number in PDB)	C841 C844 C867 C870
Binding residue (residue number reindexed from 1)	C17 C20 C43 C46
Annotation score	4

Enzymatic activity

Enzyme Commision number

2.3.2.27: RING-type E3 ubiquitin transferase.

External links

PDB	RCSB:5h1t, PDBe:5h1t, PDBj:5h1t
PDBsum	5h1t
PubMed	28207202
UniProt	O15164\|TIF1A_HUMAN Transcription intermediary factor 1-alpha (Gene Name=TRIM24)

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