MolNFT v1 · #177439 · protein

RD4-BD1 in complex with lt-872-297

7EIK · Bromodomain-containing protein 4: “RD4-BD1 in complex with lt-872-297”. X-ray diffraction, 1 ligand (J4R), 1 pocket (best druggability 0.49). MolNFT v1 #177439 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7EIK
Type: protein
Length: 125 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 4
UniProt: O60885
Ligands: J4R
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 4	protein	125	53% helix, 0% strand	O60885

Ligands and binding sites

J4R · 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	104	0.49	0.80	19	J4R

Compared structures

7EIK · RD4-BD1 in complex with LT-872-297 · the same entry in another collection · chain A against A, TM-score 1.00
O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 O60885
Elsewhere: RCSB PDB 7EIK · PDBe 7EIK · UniProt O60885

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