Structure of PDB 5h1v Chain A Binding Site BS03

Receptor Information

>5h1v Chain A (length=169) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NEDWCAVCQNGGELLCCEKCPKVFHLSCHVPTLTNFPSGEWICTFCRDLS
KPEVEYKKTEGLVKLTPIDKRKCERLLLFLYCHEMSLAFQDPVPLTVPDY
YKIIKNPMDLSTIKKRLQESMYSKPEDFVADFRLIFQNCAEFNEPDSEVA
NAGIKLENYFEELLKNLYP

Ligand information

Ligand ID

7FU

InChI

InChI=1S/C8H9N5OS/c9-12-7(14)4-1-2-5-6(3-4)15-8(11-5)13-10/h1-3H,9-10H2,(H,11,13)(H,12,14)

InChIKey

JTWKTGKIUURTLG-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(cc1C(=O)NN)sc(n2)NN
CACTVS 3.385	NNC(=O)c1ccc2nc(NN)sc2c1

Formula

C8 H9 N5 O S

Name

2-Hydrazino-1,3-benzothiazole-6-carbohydrazide

PDB chain

5h1v Chain A Residue 1103 [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]

PDB	5h1v The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
Resolution	2.002 Å
Binding residue (original residue number in PDB)	A923 F924 V928 Y935 C976 N980
Binding residue (residue number reindexed from 1)	A88 F89 V93 Y100 C139 N143
Annotation score	1
Binding affinity	MOAD: Kd=34uM PDBbind-CN: -logKd/Ki=4.00,Kd=0.1mM

Enzymatic activity

Enzyme Commision number

2.3.2.27: RING-type E3 ubiquitin transferase.

External links

PDB	RCSB:5h1v, PDBe:5h1v, PDBj:5h1v
PDBsum	5h1v
PubMed	28207202
UniProt	O15164\|TIF1A_HUMAN Transcription intermediary factor 1-alpha (Gene Name=TRIM24)

[Back to BioLiP]