Structure of PDB 5cu8 Chain A Binding Site BS01

Receptor Information

>5cu8 Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVI
KKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGH
NMRKYFEKKWTDTFK

Ligand information

InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)

VMNXKIDUTPOHPO-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc2c(cc1Cl)sc(n2)N
CACTVS 3.385	Nc1sc2cc(Cl)ccc2n1
ACDLabs 12.01	n2c1c(cc(cc1)Cl)sc2N

Formula

C7 H5 Cl N2 S

Name

6-chloro-1,3-benzothiazol-2-amine

ZINC000016989831

PDB chain

5cu8 Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	5cu8 Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 2-Amino-6-chlorobenzothiazole (SGC - Diamond I04-1 fragment screening)
Resolution	2.05 Å
Binding residue (original residue number in PDB)	P1888 F1889 V1893 F1943 N1944 I1950
Binding residue (residue number reindexed from 1)	P33 F34 V38 F88 N89 I95
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5cu8, PDBe:5cu8, PDBj:5cu8
PDBsum	5cu8
PubMed
UniProt	Q9UIF8\|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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