MolNFT v1 · #41098 · protein

Glyphosate N-acetyltransferase bound to acetyl CoA and 3- phosphoglycerate

2JDD: “Glyphosate N-acetyltransferase bound to acetyl CoA and 3- phosphoglycerate”. X-ray diffraction, 3 ligands (ACO, 3PG, SO4), 1 pocket (best druggability 0.62). MolNFT v1 #41098 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2JDD
Type: protein
Length: 145 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glyphosate N-acetyltransferase
Ligands: ACO, 3PG, SO4
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glyphosate N-acetyltransferase	protein	145	30% helix, 37% strand	—

Ligands and binding sites

ACO · Acetyl coenzyme *A · ligand · chains A
3PG · 3-phosphoglyceric acid · ligand · chains A
SO4 · Sulfate ion · ion · 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	290	0.62	0.80	31	ACO, 3PG, SO4

Compared structures

2JDD · Glyphosate N-acetyltransferase bound to acetyl COA and 3-phosphoglycerate · the same entry in another collection · chain A 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
Elsewhere: RCSB PDB 2JDD · PDBe 2JDD

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