MolNFT v1 · #61001 · protein
Crystal structure of acetyltransferase of gnat family (NP_373092.1) from staphylococcus aureus MU50 at 2.20 a resolution
3D8P: “Crystal structure of acetyltransferase of gnat family (NP_373092.1) from staphylococcus aureus MU50 at 2.20 a…”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.73). MolNFT v1 #61001 on GenesisL1: 3D structure…
- PDB
- 3D8P
- Type
- protein
- Length
- 318 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyltransferase of gnat family
- UniProt
- Q99R70
- Ligands
- CA
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyltransferase of gnat family | protein | 158 | 39% helix, 27% strand | Q99R70 |
| B | Acetyltransferase of gnat family | protein | 160 | 38% helix, 27% strand | Q99R70 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 11 copies · chains A, B
- ACT · Acetate ion · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 241 | 0.73 | 0.87 | 32 | ACT, EDO |
| 2 | 316 | 0.71 | 0.84 | 32 | ACT, EDO |
| 3 | 104 | 0.39 | 0.76 | 23 | ACT |
| 4 | 56 | 0.28 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 435 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3D8P · Crystal structure of acetyltransferase of GNAT family (NP_373092.1) from STAPHYLOCOCCUS… · 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 Q99R70
- Elsewhere: RCSB PDB 3D8P · PDBe 3D8P · UniProt Q99R70
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.