MolNFT v1 · #164914 · protein

Crystal structure of aspergillus fumigatus glucosamine-6-phosphate N- acetyltransferase 1 in complex with compound 2

6TDG · Glucosamine 6-phosphate N-acetyltransferase: “Crystal structure of aspergillus fumigatus glucosamine-6-phosphate N- acetyltransferase 1 in complex with…”. X-ray diffraction, 2 ligands (ACO, N3W), 3 pockets (best druggability 0.49).…

PDB: 6TDG
Type: protein
Length: 165 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glucosamine 6-phosphate N-acetyltransferase
EC: 2.3.1.4
UniProt: Q4WCU5
Ligands: ACO, N3W
Pockets: 3 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glucosamine 6-phosphate N-acetyltransferase (EC 2.3.1.4)	protein	165	38% helix, 21% strand	Q4WCU5

Ligands and binding sites

ACO · Acetyl coenzyme *A · ligand · chains A
N3W · 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	175	0.49	0.76	22	empty
2	116	0.47	0.79	17	empty
3	140	0.40	0.74	25	ACO

Compared structures

6TDG · Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1… · 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
Every structure of UniProt Q4WCU5
Elsewhere: RCSB PDB 6TDG · PDBe 6TDG · UniProt Q4WCU5

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