Research workbench
Crystal structure of an acyl-CoA N-acyltransferase from pseudomonas aeruginosa
Analyse Crystal structure of an acyl-CoA N-acyltransferase from pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XEB
- Type
- protein
- Length
- 1,178 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein PA0115
- UniProt
- Q9I717
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 7 distinct chains · 32% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hypothetical protein PA0115 | protein | 149 | 31% helix, 34% strand | Q9I717 |
| B | Hypothetical protein PA0115 | protein | 148 | 36% helix, 32% strand | Q9I717 |
| D | Hypothetical protein PA0115 | protein | 148 | 34% helix, 33% strand | Q9I717 |
| E | Hypothetical protein PA0115 | protein | 146 | 29% helix, 34% strand | Q9I717 |
| F | Hypothetical protein PA0115 | protein | 145 | 32% helix, 37% strand | Q9I717 |
| G | Hypothetical protein PA0115 | protein | 147 | 31% helix, 33% strand | Q9I717 |
| H | Hypothetical protein PA0115 | protein | 146 | 31% helix, 34% strand | Q9I717 |
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1023 | 0.75 | 0.77 | 86 | empty |
| 2 | 452 | 0.67 | 0.79 | 45 | empty |
| 3 | 540 | 0.67 | 0.77 | 44 | empty |
| 4 | 458 | 0.66 | 0.78 | 41 | empty |
| 5 | 494 | 0.66 | 0.77 | 41 | empty |
Interfaces
10 interfaces between chains.
- G–H · 970 Ų buried · 6 hydrogen bonds · protein-protein
- E–F · 951 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 944 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 937 Ų buried · 6 hydrogen bonds · protein-protein
- D–H · 566 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 1XEB · Crystal Structure of an Acyl-CoA N-acyltransferase 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 Q9I717
- Elsewhere: RCSB PDB 1XEB · PDBe 1XEB · UniProt Q9I717
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