MolNFT v1 · #132620 · protein

Pandda analysis group deposition -- crystal structure of the bromodomain of human nucleosome-remodeling factor subunit bptf in complex with FMOPL000287A

5R4H: “Pandda analysis group deposition -- crystal structure of the bromodomain of human nucleosome-remodeling…”. X-ray diffraction, 1 ligand (HWH), 1 pocket (best druggability 0.51). MolNFT v1 #132620 on GenesisL1: 3D structure, binding…

PDB: 5R4H
Type: protein
Length: 119 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nucleosome-remodeling factor subunit bptf
UniProt: Q12830
Ligands: HWH
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nucleosome-remodeling factor subunit bptf	protein	119	66% helix, 2% strand	Q12830

Ligands and binding sites

HWH · ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide · ligand · chains A
DMS · Dimethyl sulfoxide · additive · chains A
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	88	0.51	0.83	18	HWH

Compared structures

5R4H · PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN… · 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 5R4H · PDBe 5R4H · UniProt Q12830

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