MolNFT v1 · #51800 · protein
Structure of a putative acetyltransferase (PA1377)FROM pseudomonas aeruginosa
2VI7 · Acetyltransferase PA1377: “Structure of a putative acetyltransferase (PA1377)FROM pseudomonas aeruginosa”. X-ray diffraction, 2 ligands (SO4, AZI), 5 pockets (best druggability 0.75). MolNFT v1 #51800 on GenesisL1: 3D structure…
- PDB
- 2VI7
- Type
- protein
- Length
- 491 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyltransferase PA1377
- UniProt
- Q9I3W7
- Ligands
- SO4, AZI
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyltransferase PA1377 | protein | 163 | 31% helix, 36% strand | Q9I3W7 |
| B | Acetyltransferase PA1377 | protein | 163 | 31% helix, 35% strand | Q9I3W7 |
| C | Acetyltransferase PA1377 | protein | 165 | 32% helix, 35% strand | Q9I3W7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, C, B
- AZI · Azide ion · ion · 4 copies · chains A, B, C
- GOL · Glycerol · additive · 5 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 271 | 0.75 | 0.88 | 38 | SO4, AZI |
| 2 | 1092 | 0.75 | 0.77 | 86 | GOL |
| 3 | 347 | 0.61 | 0.78 | 53 | SO4, AZI |
| 4 | 239 | 0.56 | 0.78 | 26 | GOL |
| 5 | 143 | 0.54 | 0.81 | 24 | SO4 |
Interfaces
2 interfaces between chains.
- A–B · 1294 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 365 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2VI7 · Structure of a Putative Acetyltransferase (PA1377)from Pseudomonas aeruginosa · 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 Q9I3W7
- Elsewhere: RCSB PDB 2VI7 · PDBe 2VI7 · UniProt Q9I3W7
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