Research workbench
Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- cyclopropylglycine Fe Complex)
Analyse Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2IVJ
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.46
- Source
- Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139)
- Molecule
- Isopenicillin N synthetase
- EC
- 1.21.3.1
- UniProt
- P05326
- Ligands
- BCV, FE2, SO4
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · resolution 1.46 · 1 distinct chain · 30% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isopenicillin N synthetase (EC 1.21.3.1) | protein | 329 | 30% helix, 21% strand | P05326 |
Ligands and binding sites
- BCV · D-(L-A-aminoadipoyl)-L-cysteinyl-D-cyclopropylglycine · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · 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 | 568 | 0.81 | 0.87 | 67 | BCV, FE2 |
Compared structures
- 2IVJ · Isopenicillin N synthase from aspergillus nidulans (anaerobic ac-cyclopropylglycine fe… · 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 2IVJ · PDBe 2IVJ · UniProt P05326
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