Research workbench
Crystal structure of pseudomonas aeruginosa N-aetyltransferase PA4534
Analyse Crystal structure of pseudomonas aeruginosa N-aetyltransferase PA4534 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UBR
- Type
- protein
- Length
- 1,233 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative acetyltransferase
- UniProt
- M1Y000
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I | Putative acetyltransferase | protein | 137 | 37% helix, 31% strand | M1Y000 |
Ligands and binding sites
- GOL · Glycerol · additive · 11 copies · chains A, B, C, D, E, F, G, H, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 711 | 0.80 | 0.84 | 56 | empty |
| 2 | 723 | 0.77 | 0.82 | 60 | empty |
| 3 | 739 | 0.76 | 0.81 | 67 | empty |
| 4 | 619 | 0.75 | 0.81 | 59 | GOL |
| 5 | 483 | 0.74 | 0.83 | 44 | GOL |
Interfaces
12 interfaces between chains.
- A–B · 2496 Ų buried · 68 hydrogen bonds · protein-protein
- E–F · 2493 Ų buried · 65 hydrogen bonds · protein-protein
- G–H · 2484 Ų buried · 70 hydrogen bonds · protein-protein
- C–D · 2475 Ų buried · 65 hydrogen bonds · protein-protein
- A–G · 401 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4UBR · Crystal structure of Pseudomonas aeruginosa N-aetyltransferase PA4534 · 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 M1Y000
- Elsewhere: RCSB PDB 4UBR · PDBe 4UBR · UniProt M1Y000
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