MolNFT v1 · #149996 · protein
Crystal structure of COTB2 C-terminal truncation
6GGK · Cyclooctat-9-en-7-ol synthase: “Crystal structure of COTB2 C-terminal truncation”. X-ray diffraction, 2 ligands (MG, CL), 5 pockets (best druggability 0.77). MolNFT v1 #149996 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6GGK
- Type
- protein
- Length
- 555 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, CL
- Pockets
- 5 · best druggability 0.77
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 | 278 | 79% helix, 0% strand | C9K1X5 |
| B | Cyclooctat-9-en-7-ol synthase (EC 4.2.3.146) | protein | 277 | 77% helix, 0% strand | C9K1X5 |
Ligands and binding sites
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 | 169 | 0.77 | 0.94 | 20 | empty |
| 2 | 473 | 0.75 | 0.83 | 44 | MG |
| 3 | 513 | 0.74 | 0.83 | 44 | empty |
| 4 | 254 | 0.71 | 0.86 | 38 | CL |
| 5 | 56 | 0.31 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1575 Ų buried · 31 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 6GGK · PDBe 6GGK · UniProt C9K1X5
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