MolNFT v1 · #68601 · protein
Crystal structure of an uncharacterized protein A6V7T0 from pseudomonas aeruginosa
3K12: “Crystal structure of an uncharacterized protein A6V7T0 from pseudomonas aeruginosa”. X-ray diffraction, 11 pockets (best druggability 0.86). MolNFT v1 #68601 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3K12
- Type
- protein
- Length
- 693 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein A6V7T0
- UniProt
- Q9I3E9
- Pockets
- 11 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 28% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E | Uncharacterized protein A6V7T0 | protein | 115 | 28% helix, 40% strand | Q9I3E9 |
| B, F | Uncharacterized protein A6V7T0 | protein | 114 | 28% helix, 39% strand | Q9I3E9 |
| D | Uncharacterized protein A6V7T0 | protein | 120 | 27% helix, 34% strand | Q9I3E9 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains C, D, B, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 293 | 0.86 | 0.97 | 39 | empty |
| 2 | 285 | 0.86 | 0.97 | 39 | empty |
| 3 | 1112 | 0.78 | 0.80 | 79 | GOL |
| 4 | 77 | 0.39 | 0.79 | 22 | empty |
| 5 | 80 | 0.38 | 0.77 | 17 | empty |
Interfaces
9 interfaces between chains.
- A–B · 1253 Ų buried · 31 hydrogen bonds · protein-protein
- A–C · 1123 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1122 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1089 Ų buried · 18 hydrogen bonds · protein-protein
- B–F · 1086 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3K12 · Crystal structure of an uncharacterized protein A6V7T0 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 Q9I3E9
- Elsewhere: RCSB PDB 3K12 · PDBe 3K12 · UniProt Q9I3E9
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