MolNFT v1 · #5020 · protein
Delta-R307A deacetoxycephalosporin C synthase complexed with succinate and carbon dioxide
1E5H: “Delta-R307A deacetoxycephalosporin C synthase complexed with succinate and carbon dioxide”. X-ray diffraction, 2 ligands (FE2, CO2), 2 pockets (best druggability 0.68). MolNFT v1 #5020 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1E5H
- Type
- protein
- Length
- 271 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deacetoxycephalosporin C synthase
- UniProt
- P18548
- Ligands
- FE2, CO2
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Deacetoxycephalosporin C synthase | protein | 271 | 32% helix, 24% strand | P18548 |
Ligands and binding sites
- FE2 · Fe (II) ion · metal · chains A
- CO2 · Carbon dioxide · ion · chains A
- SIN · Succinic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 351 | 0.68 | 0.81 | 44 | FE2, SIN, CO2 |
| 2 | 53 | 0.26 | 0.73 | 16 | empty |
Compared structures
- 1E5H · Delta-R307A deacetoxycephalosporin C synthase complexed with succinate and carbon dioxide · 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 0.88
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 1E5H · PDBe 1E5H · UniProt P18548
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