Research workbench
Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from pseudomonas aeruginosa PAO1
Analyse Crystal structure of the selenomethionine substituted hypothetical protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AL5
- Type
- protein
- Length
- 1,131 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable hydrolase
- UniProt
- Q9I3A0
- Pockets
- 15 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable hydrolase | protein | 284 | 41% helix, 20% strand | Q9I3A0 |
| B | Probable hydrolase | protein | 283 | 41% helix, 20% strand | Q9I3A0 |
| C | Probable hydrolase | protein | 284 | 39% helix, 20% strand | Q9I3A0 |
| D | Probable hydrolase | protein | 280 | 42% helix, 20% strand | Q9I3A0 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, C
- PGE · Triethylene glycol · additive · chains B
- EDO · 1,2-ethanediol · additive · chains C
- GOL · Glycerol · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.79 | 0.81 | 103 | empty |
| 2 | 472 | 0.76 | 0.84 | 61 | GOL |
| 3 | 501 | 0.76 | 0.84 | 56 | PGE |
| 4 | 317 | 0.74 | 0.86 | 45 | empty |
| 5 | 255 | 0.56 | 0.78 | 27 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1800 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 1751 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 1417 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 1254 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 22 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 25 modified (engineered).
Compared structures
- 7AL5 · Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from… · 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 7AL5 · PDBe 7AL5 · UniProt Q9I3A0
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