MolNFT v1 · #148842 · protein
ACP2 crosslinked to the ks of the LOADING/CONDENSING region of the CTB1 pks
6FIK · Polyketide synthase: “ACP2 crosslinked to the ks of the LOADING/CONDENSING region of the CTB1 pks”. Electron microscopy, 20 pockets (best druggability 0.84). MolNFT v1 #148842 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6FIK
- Type
- protein
- Length
- 2,591 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase
- UniProt
- Q6DQW3
- Pockets
- 20 · best druggability 0.84
Structure
electron microscopy · 3 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase | protein | 1275 | 41% helix, 17% strand | Q6DQW3 |
| B | Polyketide synthase | protein | 1275 | 41% helix, 16% strand | Q6DQW3 |
| C | Polyketide synthase | protein | 41 | 76% helix, 0% strand | Q6DQW3 |
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 822 | 0.84 | 0.87 | 93 | empty |
| 2 | 1163 | 0.83 | 0.84 | 121 | empty |
| 3 | 885 | 0.81 | 0.84 | 125 | empty |
| 4 | 634 | 0.76 | 0.82 | 73 | empty |
| 5 | 91 | 0.75 | 0.97 | 32 | empty |
Interfaces
3 interfaces between chains.
- A–B · 7608 Ų buried · 95 hydrogen bonds · protein-protein
- B–C · 204 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 170 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6FIK · ACP2 crosslinked to the KS of the loading/condensing region of the CTB1 PKS · the same entry in another collection · chain A against A, TM-score 1.00
- Q6DQW3 · AlphaFold monomer V2.0 prediction for non-reducing polyketide synthase CTB1 (Q6DQW3) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q6DQW3
- Elsewhere: RCSB PDB 6FIK · PDBe 6FIK · UniProt Q6DQW3
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