MolNFT v1 · #186978 · protein

Crystal structure of bptf bromodomain in complex with 4-chloro-2- methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-YL)AMINO]PYRIDAZIN-3(2H)- one

7RWQ · Nucleosome-remodeling factor subunit bptf: “Crystal structure of bptf bromodomain in complex with 4-chloro-2…”. X-ray diffraction, 2 ligands (7XE, CA), 1 pocket (best druggability 0.51). MolNFT v1 #186978 on GenesisL1: 3D structure…

PDB: 7RWQ
Type: protein
Length: 118 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nucleosome-remodeling factor subunit bptf
UniProt: Q12830
Ligands: 7XE, CA
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nucleosome-remodeling factor subunit bptf	protein	118	67% helix, 0% strand	Q12830

Ligands and binding sites

7XE · 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one · ligand · chains A
CA · Calcium ion · metal · 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	96	0.51	0.82	18	7XE

Compared structures

7RWQ · Crystal Structure of BPTF bromodomain in complex with… · 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 7RWQ · PDBe 7RWQ · UniProt Q12830

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