MolNFT v1 · #91930 · protein
Crystal structure of pseudomonas aeruginosa OCCK8 (opre)
4FRX · Anaerobically-induced outer membrane porin opre: “Crystal structure of pseudomonas aeruginosa OCCK8 (opre)”. X-ray diffraction, 6 pockets (best druggability 0.66). MolNFT v1 #91930 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4FRX
- Type
- protein
- Length
- 799 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anaerobically-induced outer membrane porin opre
- UniProt
- G3XDA5
- Pockets
- 6 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anaerobically-induced outer membrane porin opre | protein | 399 | 3% helix, 57% strand | G3XDA5 |
| B | Anaerobically-induced outer membrane porin opre | protein | 400 | 3% helix, 58% strand | G3XDA5 |
Ligands and binding sites
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 776 | 0.66 | 0.74 | 88 | empty |
| 2 | 693 | 0.64 | 0.74 | 73 | empty |
| 3 | 395 | 0.56 | 0.74 | 43 | empty |
| 4 | 178 | 0.47 | 0.76 | 31 | empty |
| 5 | 141 | 0.44 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 316 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4FRX · Crystal Structure of Pseudomonas aeruginosa OccK8 (OprE) · 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 G3XDA5
- Elsewhere: RCSB PDB 4FRX · PDBe 4FRX · UniProt G3XDA5
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