MolNFT v1 · #73173 · protein
Wbpe, an aminotransferase from pseudomonas aeruginosa involved in O- antigen assembly in complex with the cofactor pmp
3NU7 · Aminotransferase wbpe: “Wbpe, an aminotransferase from pseudomonas aeruginosa involved in O- antigen assembly in complex with the…”. X-ray diffraction, 1 ligand (PMP), 5 pockets (best druggability 0.74). MolNFT v1 #73173 on…
- PDB
- 3NU7
- Type
- protein
- Length
- 717 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminotransferase wbpe
- UniProt
- Q9HZ76
- Ligands
- PMP
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminotransferase wbpe | protein | 358 | 42% helix, 16% strand | Q9HZ76 |
| B | Aminotransferase wbpe | protein | 359 | 42% helix, 16% strand | Q9HZ76 |
Ligands and binding sites
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 555 | 0.74 | 0.81 | 65 | GOL, PMP |
| 2 | 421 | 0.70 | 0.81 | 58 | PMP, GOL |
| 3 | 64 | 0.34 | 0.77 | 12 | GOL |
| 4 | 75 | 0.30 | 0.73 | 17 | empty |
| 5 | 51 | 0.27 | 0.74 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 2217 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 3NU7 · WbpE, an Aminotransferase from Pseudomonas aeruginosa Involved in O-antigen Assembly in… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HZ76 · AlphaFold monomer V2.0 prediction for udp-2-acetamido-2-deoxy-3-oxo- D-glucuronate… · a predicted model of the same protein · chain B 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 Q9HZ76
- Elsewhere: RCSB PDB 3NU7 · PDBe 3NU7 · UniProt Q9HZ76
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