MolNFT v1 · #114043 · protein
Polyketide cyclase oac from cannabis sativa, I7F mutant
5B0B · Olivetolic acid cyclase: “Polyketide cyclase oac from cannabis sativa, I7F mutant”. X-ray diffraction, 6 pockets (best druggability 0.47). MolNFT v1 #114043 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5B0B
- Type
- protein
- Length
- 372 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Olivetolic acid cyclase
- EC
- 4.4.1.26
- UniProt
- I6WU39
- Pockets
- 6 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Olivetolic acid cyclase (EC 4.4.1.26) | protein | 92 | 41% helix, 35% strand | I6WU39 |
| C, D | Olivetolic acid cyclase (EC 4.4.1.26) | protein | 94 | 39% helix, 34% strand | I6WU39 |
Ligands and binding sites
- ACT · Acetate ion · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.47 | 0.83 | 15 | ACT |
| 2 | 69 | 0.42 | 0.80 | 15 | ACT |
| 3 | 60 | 0.41 | 0.81 | 15 | ACT |
| 4 | 74 | 0.38 | 0.78 | 22 | empty |
| 5 | 69 | 0.36 | 0.77 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1187 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 1083 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 567 Ų buried · 4 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 I6WU39
- Elsewhere: RCSB PDB 5B0B · PDBe 5B0B · UniProt I6WU39
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