MolNFT v1 · #147463 · protein

Structure of a gnat superfamily acetyltransferase PA3944 in complex with CoA

6EDV: “Structure of a gnat superfamily acetyltransferase PA3944 in complex with CoA”. X-ray diffraction, 2 ligands (COA, CA), 1 pocket (best druggability 0.77). MolNFT v1 #147463 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6EDV
Type: protein
Length: 184 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetyltransferase PA3944
EC: 2.3.1.-
UniProt: Q9HX72
Ligands: COA, CA
Pockets: 1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acetyltransferase PA3944 (EC 2.3.1.-)	protein	184	35% helix, 25% strand	Q9HX72

Ligands and binding sites

COA · Coenzyme A · ligand · chains A
CA · Calcium ion · metal · chains A
EDO · 1,2-ethanediol · additive · 2 copies · 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	611	0.77	0.83	53	COA

Compared structures

6EDV · Structure of a GNAT superfamily acetyltransferase PA3944 in complex with CoA · the same entry in another collection · chain A against A, TM-score 1.00
Q9HX72 · AlphaFold monomer V2.0 prediction for acetyltransferase PA3944 (Q9HX72) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q9HX72
Elsewhere: RCSB PDB 6EDV · PDBe 6EDV · UniProt Q9HX72

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.