Research workbench
Deacetoxycephalosporin C synthase (with a N-terminal his- tag) in complex with FE(II) and ampicillin
Analyse Deacetoxycephalosporin C synthase (with a N-terminal his- tag) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1W2N
- Type
- protein
- Length
- 277 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deacetoxycephalosporin C synthase
- EC
- 1.14.10.1
- UniProt
- P18548
- Ligands
- PN1, FE
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Deacetoxycephalosporin C synthase (EC 1.14.10.1) | protein | 277 | 30% helix, 23% strand | P18548 |
Ligands and binding sites
- PN1 · (2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid · ligand · chains A
- FE · Fe (III) ion · metal · 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 | 472 | 0.65 | 0.77 | 52 | FE, PN1 |
Compared structures
- 1W2N · Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and… · the same entry in another collection · chain A against A, TM-score 1.00
- P18548 · AlphaFold monomer V2.0 prediction for deacetoxycephalosporin C synthase (P18548) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P18548
- Elsewhere: RCSB PDB 1W2N · PDBe 1W2N · UniProt P18548
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