Research workbench
Isopenicillin N synthase from aspergillus nidulans (manganese complex)
Analyse Isopenicillin N synthase from aspergillus nidulans (manganese complex) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1IPS
- Type
- protein
- Length
- 656 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isopenicillin N synthase
- UniProt
- P05326
- Ligands
- MN
- Pockets
- 9 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Isopenicillin N synthase | protein | 328 | 29% helix, 23% strand | P05326 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 912 | 0.83 | 0.85 | 78 | empty |
| 2 | 57 | 0.71 | 0.98 | 18 | empty |
| 3 | 51 | 0.70 | 0.97 | 18 | empty |
| 4 | 294 | 0.64 | 0.81 | 35 | empty |
| 5 | 246 | 0.57 | 0.78 | 42 | empty |
Interfaces
1 interface between chains.
- A–B · 973 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1IPS · Isopenicillin N synthase from aspergillus nidulans (manganese 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 0.98
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 1IPS · PDBe 1IPS · UniProt P05326
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