MolNFT v1 · #48424 · protein

Human MAK3 homolog in complex with CoA

2PSW · N-acetyltransferase 13: “Human MAK3 homolog in complex with CoA”. X-ray diffraction, 1 ligand (COA), 6 pockets (best druggability 0.67). MolNFT v1 #48424 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2PSW
Type: protein
Length: 459 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: N-acetyltransferase 13
EC: 2.3.1.88
UniProt: Q9GZZ1
Ligands: COA
Pockets: 6 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	N-acetyltransferase 13 (EC 2.3.1.88)	protein	155	32% helix, 35% strand	Q9GZZ1
B, C	N-acetyltransferase 13 (EC 2.3.1.88)	protein	152	32% helix, 34% strand	Q9GZZ1

Ligands and binding sites

COA · Coenzyme A · ligand · 3 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	320	0.67	0.81	35	COA
2	326	0.66	0.81	36	COA
3	330	0.65	0.80	37	COA
4	369	0.64	0.79	44	empty
5	181	0.53	0.79	24	empty

Interfaces

2 interfaces between chains.

A–C · 594 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 439 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

2PSW · Human MAK3 homolog in complex with CoA · the same entry in another collection · chain A against A, TM-score 1.00
Q9GZZ1 · AlphaFold monomer V2.0 prediction for N-alpha-acetyltransferase 50 (Q9GZZ1) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q9GZZ1
Elsewhere: RCSB PDB 2PSW · PDBe 2PSW · UniProt Q9GZZ1

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