MolNFT v1 · #9613 · protein

Crystal structure of yeast GNA1

1I21 · Glucosamine-phosphate N-acetyltransferase: “Crystal structure of yeast GNA1”. X-ray diffraction, 7 pockets (best druggability 0.81). MolNFT v1 #9613 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1I21
Type: protein
Length: 921 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glucosamine-phosphate N-acetyltransferase
EC: 2.3.1.4
UniProt: P43577
Pockets: 7 · best druggability 0.81

Structure

x-ray diffraction · 6 distinct chains · 36% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glucosamine-phosphate N-acetyltransferase (EC 2.3.1.4)	protein	155	36% helix, 35% strand	P43577
B	Glucosamine-phosphate N-acetyltransferase (EC 2.3.1.4)	protein	157	38% helix, 34% strand	P43577
M	Glucosamine-phosphate N-acetyltransferase (EC 2.3.1.4)	protein	156	35% helix, 33% strand	P43577
N	Glucosamine-phosphate N-acetyltransferase (EC 2.3.1.4)	protein	147	37% helix, 35% strand	P43577
X	Glucosamine-phosphate N-acetyltransferase (EC 2.3.1.4)	protein	150	34% helix, 31% strand	P43577
Y	Glucosamine-phosphate N-acetyltransferase (EC 2.3.1.4)	protein	156	35% helix, 32% strand	P43577

Pockets

7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1153	0.81	0.82	89	empty
2	685	0.76	0.81	61	empty
3	358	0.63	0.78	39	empty
4	342	0.61	0.78	40	empty
5	338	0.60	0.77	49	empty

Interfaces

8 interfaces between chains.

X–Y · 2868 Å² buried · 49 hydrogen bonds · protein-protein
A–B · 2828 Å² buried · 49 hydrogen bonds · protein-protein
M–N · 2808 Å² buried · 47 hydrogen bonds · protein-protein
B–Y · 482 Å² buried · 8 hydrogen bonds · protein-protein
B–M · 252 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 27 modified (engineered).

Compared structures

1I21 · Crystal structure of yeast GNA1 · the same entry in another collection · chain Y against Y, TM-score 1.00
P43577 · AlphaFold monomer V2.0 prediction for glucosamine 6-phosphate N-acetyltransferase (P43577) · a predicted model of the same protein · chain Y against A, TM-score 0.98

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 P43577
Elsewhere: RCSB PDB 1I21 · PDBe 1I21 · UniProt P43577

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