Research workbench
Crystal structure of hypothetical protein PA1648 from pseudomonas aeruginosa.
Analyse Crystal structure of hypothetical protein PA1648 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
- 4B7C
- Type
- protein
- Length
- 3,828 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable oxidoreductase
- UniProt
- B7UV73
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 10 distinct chains · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Probable oxidoreductase | protein | 325 | 32% helix, 27% strand | B7UV73 |
| B | Probable oxidoreductase | protein | 331 | 31% helix, 27% strand | B7UV73 |
| C | Probable oxidoreductase | protein | 323 | 30% helix, 28% strand | B7UV73 |
| E | Probable oxidoreductase | protein | 320 | 31% helix, 28% strand | B7UV73 |
| F, L | Probable oxidoreductase | protein | 325 | 31% helix, 27% strand | B7UV73 |
| G | Probable oxidoreductase | protein | 323 | 30% helix, 28% strand | B7UV73 |
| H | Probable oxidoreductase | protein | 320 | 31% helix, 28% strand | B7UV73 |
| I | Probable oxidoreductase | protein | 323 | 31% helix, 28% strand | B7UV73 |
| J | Probable oxidoreductase | protein | 302 | 32% helix, 29% strand | B7UV73 |
| K | Probable oxidoreductase | protein | 286 | 32% helix, 27% strand | B7UV73 |
Ligands and binding sites
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 5 copies · chains D, F, G, H, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1108 | 0.84 | 0.85 | 117 | empty |
| 2 | 998 | 0.82 | 0.83 | 106 | MES |
| 3 | 801 | 0.81 | 0.84 | 89 | MES |
| 4 | 795 | 0.81 | 0.84 | 89 | MES |
| 5 | 847 | 0.81 | 0.83 | 80 | empty |
Interfaces
30 interfaces between chains.
- A–B · 1359 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1345 Ų buried · 13 hydrogen bonds · protein-protein
- E–F · 1263 Ų buried · 13 hydrogen bonds · protein-protein
- G–H · 1251 Ų buried · 12 hydrogen bonds · protein-protein
- I–J · 1195 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4B7C · Crystal structure of hypothetical protein PA1648 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 B7UV73
- Elsewhere: RCSB PDB 4B7C · PDBe 4B7C · UniProt B7UV73
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