MolNFT v1 · #79324 · protein
Crystal structure of pseudomonas aeruginosa OCCK3 (opdo)
3SZV · Pyroglutatmate porin opdo: “Crystal structure of pseudomonas aeruginosa OCCK3 (opdo)”. X-ray diffraction, 3 pockets (best druggability 0.65). MolNFT v1 #79324 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3SZV
- Type
- protein
- Length
- 364 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyroglutatmate porin opdo
- UniProt
- Q9I202
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 63% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyroglutatmate porin opdo | protein | 364 | 3% helix, 63% strand | Q9I202 |
Ligands and binding sites
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 663 | 0.65 | 0.75 | 81 | empty |
| 2 | 163 | 0.50 | 0.78 | 21 | empty |
| 3 | 62 | 0.32 | 0.76 | 16 | empty |
Compared structures
- 3SZV · Crystal structure of Pseudomonas aeruginosa OccK3 (OpdO) · 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 Q9I202
- Elsewhere: RCSB PDB 3SZV · PDBe 3SZV · UniProt Q9I202
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