MolNFT v1 · #114024 · protein
Crystal structure of a membrane protein from pseudomonas aeruginosa
5AZS · Outer membrane protein oprj: “Crystal structure of a membrane protein from pseudomonas aeruginosa”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #114024 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5AZS
- Type
- protein
- Length
- 1,311 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer membrane protein oprj
- UniProt
- Q51397
- Pockets
- 20 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 65% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Outer membrane protein oprj | protein | 430 | 67% helix, 13% strand | Q51397 |
| B | Outer membrane protein oprj | protein | 435 | 65% helix, 13% strand | Q51397 |
| C | Outer membrane protein oprj | protein | 446 | 63% helix, 13% strand | Q51397 |
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 890 | 0.73 | 0.77 | 73 | empty |
| 2 | 62 | 0.67 | 0.95 | 20 | empty |
| 3 | 53 | 0.66 | 0.96 | 21 | empty |
| 4 | 363 | 0.57 | 0.76 | 72 | empty |
| 5 | 285 | 0.55 | 0.76 | 46 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2804 Ų buried · 41 hydrogen bonds · protein-protein
- A–B · 2779 Ų buried · 36 hydrogen bonds · protein-protein
- A–C · 2713 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 5AZS · Crystal structure of a membrane protein from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
- Q51397 · AlphaFold monomer V2.0 prediction for outer membrane protein oprj (Q51397) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q51397
- Elsewhere: RCSB PDB 5AZS · PDBe 5AZS · UniProt Q51397
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