MolNFT v1 · #120257 · protein
Crystal structure of COTB2 (apo form) from streptomyces melanosporofaciens
5GUC · Cyclooctat-9-en-7-ol synthase: “Crystal structure of COTB2 (apo form) from streptomyces melanosporofaciens”. X-ray diffraction, 5 pockets (best druggability 0.73). MolNFT v1 #120257 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5GUC
- Type
- protein
- Length
- 562 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclooctat-9-en-7-ol synthase
- EC
- 4.2.3.146
- UniProt
- C9K1X5
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cyclooctat-9-en-7-ol synthase (EC 4.2.3.146) | protein | 281 | 79% helix, 0% strand | C9K1X5 |
Ligands and binding sites
- FMT · Formic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 516 | 0.73 | 0.82 | 37 | empty |
| 2 | 513 | 0.73 | 0.82 | 42 | empty |
| 3 | 257 | 0.69 | 0.85 | 35 | empty |
| 4 | 170 | 0.64 | 0.85 | 25 | FMT |
| 5 | 65 | 0.35 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1559 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 5GUC · Crystal structure of CotB2 (apo form) from Streptomyces melanosporofaciens · the same entry in another collection · chain A against A, TM-score 1.00
- C9K1X5 · AlphaFold monomer V2.0 prediction for cyclooctat-9-en-7-ol synthase (C9K1X5) · 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 C9K1X5
- Elsewhere: RCSB PDB 5GUC · PDBe 5GUC · UniProt C9K1X5
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