Research workbench
Crystal structure of the hypothetical protein PA1622 from pseudomonas aeruginosa PAO1
Analyse Crystal structure of the hypothetical protein PA1622 from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AL6
- Type
- protein
- Length
- 1,137 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable hydrolase
- UniProt
- Q9I3A0
- Pockets
- 15 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Probable hydrolase | protein | 285 | 42% helix, 20% strand | Q9I3A0 |
| D | Probable hydrolase | protein | 282 | 41% helix, 20% strand | Q9I3A0 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, C, D
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B, D
- PGE · Triethylene glycol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 805 | 0.84 | 0.86 | 100 | PEG |
| 2 | 517 | 0.77 | 0.84 | 67 | EDO |
| 3 | 328 | 0.75 | 0.86 | 52 | empty |
| 4 | 133 | 0.59 | 0.84 | 30 | empty |
| 5 | 263 | 0.59 | 0.79 | 32 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1799 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 1777 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 1434 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 1211 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 17 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7AL6 · Crystal structure of the hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1 · 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 Q9I3A0
- Elsewhere: RCSB PDB 7AL6 · PDBe 7AL6 · UniProt Q9I3A0
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