MolNFT v1 · #135134 · protein

Bromodomain from plasmodium faciparum GCN5, complexed with compound

5TPX · Histone acetyltransferase GCN5: “Bromodomain from plasmodium faciparum GCN5, complexed with compound”. X-ray diffraction, 3 ligands (7H7, SO4, CL), 1 pocket (best druggability 0.56). MolNFT v1 #135134 on GenesisL1: 3D structure…

PDB: 5TPX
Type: protein
Length: 106 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histone acetyltransferase GCN5
EC: 2.3.1.48
UniProt: Q8IB67
Ligands: 7H7, SO4, CL
Pockets: 1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histone acetyltransferase GCN5 (EC 2.3.1.48)	protein	106	70% helix, 0% strand	Q8IB67

Ligands and binding sites

7H7 · (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2, 4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine · ligand · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A
CL · Chloride ion · ion · 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	108	0.56	0.84	19	7H7

Compared structures

5TPX · Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound · 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 Q8IB67
Elsewhere: RCSB PDB 5TPX · PDBe 5TPX · UniProt Q8IB67

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