MolNFT v1 · #171134 · protein
Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P.
6YUG · Diamine acetyltransferase: “Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P.”. X-ray diffraction, 2 ligands (ACO, G6P), 2 pockets (best druggability 0.65). MolNFT v1 #171134 on GenesisL1: 3D structure…
- PDB
- 6YUG
- Type
- protein
- Length
- 286 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Diamine acetyltransferase
- EC
- 2.3.1.57
- UniProt
- Q5CPU3
- Ligands
- ACO, G6P
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Diamine acetyltransferase (EC 2.3.1.57) | protein | 143 | 34% helix, 31% strand | Q5CPU3 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
- G6P · 6-O-phosphono-alpha-D-glucopyranose · sugar · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 329 | 0.65 | 0.80 | 47 | ACO |
| 2 | 379 | 0.65 | 0.79 | 41 | ACO, G6P |
Interfaces
1 interface between chains.
- A–B · 2997 Ų buried · 70 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6YUG · Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P. · the same entry in another collection · chain A against A, TM-score 1.00
- Q5CPU3 · AlphaFold monomer V2.0 prediction for diamine acetyltransferase (Q5CPU3) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q5CPU3
- Elsewhere: RCSB PDB 6YUG · PDBe 6YUG · UniProt Q5CPU3
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