MolNFT v1 · #191195 · protein

Crystal structure of the bptf bromodomain in complex with bi-7190

8AG2 · Nucleosome-remodeling factor subunit bptf: “Crystal structure of the bptf bromodomain in complex with bi-7190”. X-ray diffraction, 1 ligand (M1I), 1 pocket (best druggability 0.52). MolNFT v1 #191195 on GenesisL1: 3D structure…

PDB: 8AG2
Type: protein
Length: 121 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nucleosome-remodeling factor subunit bptf
UniProt: Q12830
Ligands: M1I
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nucleosome-remodeling factor subunit bptf	protein	121	65% helix, 2% strand	Q12830

Ligands and binding sites

M1I · 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl) cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	104	0.52	0.82	18	M1I

Compared structures

8AG2 · Crystal structure of the BPTF bromodomain in complex with BI-7190 · the same entry in another collection · chain A against A, TM-score 1.00

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 Q12830
Elsewhere: RCSB PDB 8AG2 · PDBe 8AG2 · UniProt Q12830

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