MolNFT v1 · #154056 · protein
Structure of an isopenicillin N synthase from pseudomonas aeruginosa PAO1
6JYV · Probable IRON/ASCORBATE oxidoreductase: “Structure of an isopenicillin N synthase from pseudomonas aeruginosa PAO1”. X-ray diffraction, 1 ligand (NA), 9 pockets (best druggability 0.78). MolNFT v1 #154056 on GenesisL1: 3D structure…
- PDB
- 6JYV
- Type
- protein
- Length
- 657 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable IRON/ASCORBATE oxidoreductase
- UniProt
- Q9HWJ0
- Ligands
- NA
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable IRON/ASCORBATE oxidoreductase | protein | 329 | 36% helix, 19% strand | Q9HWJ0 |
| B | Probable IRON/ASCORBATE oxidoreductase | protein | 328 | 37% helix, 19% strand | Q9HWJ0 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1129 | 0.78 | 0.80 | 106 | NA |
| 2 | 390 | 0.70 | 0.82 | 49 | NA |
| 3 | 75 | 0.41 | 0.79 | 21 | empty |
| 4 | 72 | 0.41 | 0.80 | 20 | empty |
| 5 | 63 | 0.34 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 837 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6JYV · Structure of an isopenicillin N synthase from Pseudomonas aeruginosa PAO1 · 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 Q9HWJ0
- Elsewhere: RCSB PDB 6JYV · PDBe 6JYV · UniProt Q9HWJ0
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