MolNFT v1 · #9582 · protein
Crystal structure of saccharomyces cerevisiae GNA1 complexed with accoa
1I12 · Glucosamine-phosphate N-acetyltransferase: “Crystal structure of saccharomyces cerevisiae GNA1 complexed with accoa”. X-ray diffraction, 1 ligand (ACO), 3 pockets (best druggability 0.78). MolNFT v1 #9582 on GenesisL1: 3D structure…
- PDB
- 1I12
- Type
- protein
- Length
- 619 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucosamine-phosphate N-acetyltransferase
- EC
- 2.3.1.4
- UniProt
- P43577
- Ligands
- ACO
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucosamine-phosphate N-acetyltransferase (EC 2.3.1.4) | protein | 154 | 36% helix, 33% strand | P43577 |
| B | Glucosamine-phosphate N-acetyltransferase (EC 2.3.1.4) | protein | 154 | 37% helix, 34% strand | P43577 |
| C | Glucosamine-phosphate N-acetyltransferase (EC 2.3.1.4) | protein | 154 | 33% helix, 36% strand | P43577 |
| D | Glucosamine-phosphate N-acetyltransferase (EC 2.3.1.4) | protein | 157 | 36% helix, 36% strand | P43577 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 4 copies · chains A, B, C, D
- IMD · Imidazole · additive · 2 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1074 | 0.78 | 0.80 | 84 | ACO |
| 2 | 303 | 0.62 | 0.79 | 36 | ACO |
| 3 | 270 | 0.61 | 0.79 | 34 | ACO |
Interfaces
3 interfaces between chains.
- B–D · 2961 Ų buried · 54 hydrogen bonds · protein-protein
- A–C · 2869 Ų buried · 53 hydrogen bonds · protein-protein
- A–B · 305 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1I12 · Crystal structure of saccharomyces cerevisiae GNA1 complexed with accoa · the same entry in another collection · chain D against D, 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 A against A, TM-score 0.99
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 1I12 · PDBe 1I12 · UniProt P43577
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