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Pandda analysis group deposition -- crystal structure of the bromodomain of human nucleosome-remodeling factor subunit bptf in complex with FMOPL000621A

Analyse Pandda analysis group deposition -- crystal structure of the bromodomain of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5R4G
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
RU4
Pockets
1 · best druggability 0.52

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ANucleosome-remodeling factor subunit bptfprotein11966% helix, 2% strandQ12830

Ligands and binding sites

  • RU4 · 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate · ligand · chains A
  • DMS · Dimethyl sulfoxide · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1970.520.8320RU4

Compared structures

  • 5R4G · 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

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