MolNFT v1 · #31712 · protein

Human spermine spermidine acetyltransferase K26R mutant

2B3U · Diamine acetyltransferase 1: “Human spermine spermidine acetyltransferase K26R mutant”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.77). MolNFT v1 #31712 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2B3U
Type: protein
Length: 326 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Diamine acetyltransferase 1
EC: 2.3.1.57
UniProt: P21673
Ligands: SO4
Pockets: 3 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Diamine acetyltransferase 1 (EC 2.3.1.57)	protein	162	40% helix, 30% strand	P21673
B	Diamine acetyltransferase 1 (EC 2.3.1.57)	protein	164	40% helix, 30% strand	P21673

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B

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	697	0.77	0.82	94	empty
2	132	0.49	0.78	14	empty
3	54	0.37	0.80	13	empty

Interfaces

1 interface between chains.

A–B · 3513 Å² buried · 50 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 11 modified (engineered).

Compared structures

2B3U · Human Spermine spermidine acetyltransferase 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 B 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 P21673
Elsewhere: RCSB PDB 2B3U · PDBe 2B3U · UniProt P21673

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