MolNFT v1 · #128651 · protein
Crystal structure of 1,8-cineole synthase from streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate and 2- fluorogeranyl diphosphate
5NX7: “Crystal structure of 1,8-cineole synthase from streptomyces clavuligerus in complex with 2-fluoroneryl…”. X-ray diffraction, 5 ligands (0FV, LA6, 9D2). MolNFT v1 #128651 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5NX7
- Type
- protein
- Length
- 615 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- B5GMG2
- Ligands
- 0FV, LA6, 9D2, NDS, MG
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 308 | — | B5GMG2 |
| B | — | protein | 307 | — | B5GMG2 |
Ligands and binding sites
- 0FV · (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate · ligand · 2 copies · chains A, B
- LA6 · (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate · ligand · 2 copies · chains A, B
- 9D2 · 2-ethyl-2-(hydroxymethyl)propane-1,3-diol · ligand · 2 copies · chains A, B
- NDS · Ethyl dimethyl ammonio propane sulfonate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5NX7 · Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- B5GMG2 · AlphaFold monomer V2.0 prediction for 1,8-cineole synthase (B5GMG2) · 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 B5GMG2
- Elsewhere: RCSB PDB 5NX7 · PDBe 5NX7 · UniProt B5GMG2
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