MolNFT v1 · #37835 · protein
Crystal structure of probable acetyltransferase from agrobacterium tumefaciens
2GE3: “Crystal structure of probable acetyltransferase from agrobacterium tumefaciens”. X-ray diffraction, 1 ligand (ACO), 5 pockets (best druggability 0.85). MolNFT v1 #37835 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GE3
- Type
- protein
- Length
- 655 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable acetyltransferase
- UniProt
- Q8UD38
- Ligands
- ACO
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Probable acetyltransferase | protein | 164 | 35% helix, 34% strand | Q8UD38 |
| B | Probable acetyltransferase | protein | 163 | 36% helix, 34% strand | Q8UD38 |
| D | Probable acetyltransferase | protein | 164 | 35% helix, 35% strand | Q8UD38 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1065 | 0.85 | 0.85 | 101 | ACO |
| 2 | 1072 | 0.84 | 0.84 | 103 | ACO |
| 3 | 247 | 0.53 | 0.76 | 24 | empty |
| 4 | 208 | 0.52 | 0.77 | 28 | empty |
| 5 | 50 | 0.28 | 0.75 | 12 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1142 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1072 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 361 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 13 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 2GE3 · Crystal structure of Probable acetyltransferase from Agrobacterium tumefaciens · the same entry in another collection · chain D against D, 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 Q8UD38
- Elsewhere: RCSB PDB 2GE3 · PDBe 2GE3 · UniProt Q8UD38
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.