MolNFT v1 · #31759 · protein

Ssat with COA_SP, spermine disordered, K26R mutant

2B58 · Diamine acetyltransferase 1: “Ssat with COA_SP, spermine disordered, K26R mutant”. X-ray diffraction, 1 ligand (COA), 3 pockets (best druggability 0.61). MolNFT v1 #31759 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2B58
Type: protein
Length: 167 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Diamine acetyltransferase 1
EC: 2.3.1.57
UniProt: P21673
Ligands: COA
Pockets: 3 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Diamine acetyltransferase 1 (EC 2.3.1.57)	protein	167	41% helix, 22% strand	P21673

Ligands and binding sites

COA · Coenzyme A · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	290	0.61	0.79	28	COA
2	134	0.43	0.76	22	empty
3	90	0.34	0.74	16	empty

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

2B58 · SSAT with coa_sp, spermine disordered, K26R mutant · the same entry in another collection · chain A against A, TM-score 1.00
P21673 · AlphaFold monomer V2.0 prediction for diamine acetyltransferase 1 (P21673) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 P21673
Elsewhere: RCSB PDB 2B58 · PDBe 2B58 · UniProt P21673

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