MolNFT v1 · #31728 · protein

SSAT+COA+SP- sp disordered

2B4D · Diamine acetyltransferase 1: “SSAT+COA+SP- sp disordered”. X-ray diffraction, 1 ligand (COA), 2 pockets (best druggability 0.81). MolNFT v1 #31728 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2B4D
Type: protein
Length: 340 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: COA
Pockets: 2 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Diamine acetyltransferase 1 (EC 2.3.1.57)	protein	170	41% helix, 29% strand	P21673

Ligands and binding sites

COA · Coenzyme A · ligand · 2 copies · chains A, B

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

Pockets

2 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	945	0.81	0.82	98	COA
2	157	0.50	0.78	19	empty

Interfaces

1 interface between chains.

A–B · 3565 Å² buried · 50 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 13 modified (engineered, acetylation).

Compared structures

2B4D · SSAT+COA+SP- SP disordered · 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 0.95

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 2B4D · PDBe 2B4D · UniProt P21673

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