MolNFT v1 · #173080 · protein
Crystal structure of COTB2 variant W288F
7AO5 · Cyclooctat-9-en-7-ol synthase: “Crystal structure of COTB2 variant W288F”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.76). MolNFT v1 #173080 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AO5
- Type
- protein
- Length
- 557 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
- Ligands
- MG
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclooctat-9-en-7-ol synthase (EC 4.2.3.146) | protein | 279 | 78% helix, 0% strand | C9K1X5 |
| B | Cyclooctat-9-en-7-ol synthase (EC 4.2.3.146) | protein | 278 | 78% helix, 0% strand | C9K1X5 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 176 | 0.76 | 0.92 | 18 | empty |
| 2 | 534 | 0.74 | 0.82 | 39 | MPD, MG |
| 3 | 489 | 0.73 | 0.82 | 39 | MPD, MG |
| 4 | 266 | 0.71 | 0.86 | 36 | MPD |
Interfaces
1 interface between chains.
- A–B · 1538 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
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 7AO5 · PDBe 7AO5 · UniProt C9K1X5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.