Structure of PDB 5h1v Chain B Binding Site BS03

Receptor Information

>5h1v Chain B (length=170) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NEDWCAVCQNGGELLCCEKCPKVFHLSCHVPTLTNFPSGEWICTFCRDLS
KPEVEYDKKTEGLVKLTPIDKRKCERLLLFLYCHEMSLAFQDPVPLTVPD
YYKIIKNPMDLSTIKKRLQESMYSKPEDFVADFRLIFQNCAEFNEPDSEV
ANAGIKLENYFEELLKNLYP

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 B 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 V932 Y935 C976 N980 V986
Binding residue (residue number reindexed from 1)	A89 F90 V94 V98 Y101 C140 N144 V150
Annotation score	1
Binding affinity	MOAD: Kd=34uM

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]