MolNFT v1 · #8785 · protein
Isopenicillin N synthase from aspergillus nidulans (anaerobic acov fe complex)
1HB1: “Isopenicillin N synthase from aspergillus nidulans (anaerobic acov fe complex)”. X-ray diffraction, 3 ligands (OCV, FE2, SO4), 1 pocket (best druggability 0.81). MolNFT v1 #8785 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1HB1
- Type
- protein
- Length
- 328 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isopenicillin N synthase
- UniProt
- P05326
- Ligands
- OCV, FE2, SO4
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isopenicillin N synthase | protein | 328 | 30% helix, 21% strand | P05326 |
Ligands and binding sites
- OCV · N6-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptomethyl)-2-oxoethyl]-6-oxo-D-lysine · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 533 | 0.81 | 0.87 | 66 | OCV |
Compared structures
- 1HB1 · Isopenicillin N synthase from aspergillus nidulans (anaerobic acov fe complex) · the same entry in another collection · chain A against A, TM-score 1.00
- P05326 · AlphaFold monomer V2.0 prediction for isopenicillin N synthase (P05326) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P05326
- Elsewhere: RCSB PDB 1HB1 · PDBe 1HB1 · UniProt P05326
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.