MolNFT v1 · #27042 · protein
Crystal structure of PA3566 from pseudomonas aeruginosa
1X7V · PA3566 protein: “Crystal structure of PA3566 from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.86). MolNFT v1 #27042 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1X7V
- Type
- protein
- Length
- 295 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PA3566 protein
- UniProt
- Q9HY51
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | PA3566 protein | protein | 98 | 36% helix, 36% strand | Q9HY51 |
| C | PA3566 protein | protein | 99 | 29% helix, 37% strand | Q9HY51 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 322 | 0.86 | 0.95 | 39 | empty |
| 2 | 125 | 0.49 | 0.79 | 22 | empty |
| 3 | 116 | 0.46 | 0.79 | 27 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1205 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1003 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 110 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 1X7V · Crystal structure of PA3566 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 Q9HY51
- Elsewhere: RCSB PDB 1X7V · PDBe 1X7V · UniProt Q9HY51
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