MolNFT v1 · #129673 · protein

Crystal structure of BAZ2B bromodomain in complex with 1-methyl- cyclopentapyrazole compound 30

5ORB · Bromodomain adjacent to zinc finger domain protein 2B: “Crystal structure of BAZ2B bromodomain in complex with 1-methyl- cyclopentapyrazole compound 30”. X-ray diffraction, 1 ligand (JR6), 1 pocket (best druggability 0.44). MolNFT…

PDB: 5ORB
Type: protein
Length: 116 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain adjacent to zinc finger domain protein 2B
UniProt: Q9UIF8
Ligands: JR6
Pockets: 1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain adjacent to zinc finger domain protein 2B	protein	116	63% helix, 0% strand	Q9UIF8

Ligands and binding sites

JR6 · 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide · ligand · chains A
EDO · 1,2-ethanediol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	72	0.44	0.81	18	JR6

Compared structures

Q9UIF8 · AlphaFold monomer V2.0 prediction for bromodomain adjacent to zinc finger domain protein… · a predicted model of the same protein · chain A against A, TM-score 0.92

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q9UIF8
Elsewhere: RCSB PDB 5ORB · PDBe 5ORB · UniProt Q9UIF8

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