MolNFT v1 · #154853 · protein
Ketosynthase domain in tenuazonic acid synthetase 1 (TAS1).
6KOG · Hybrid pks-nrps synthetase TAS1: “Ketosynthase domain in tenuazonic acid synthetase 1 (TAS1).”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.89). MolNFT v1 #154853 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6KOG
- Type
- protein
- Length
- 869 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hybrid pks-nrps synthetase TAS1
- EC
- 2.3.1.-, 6.3.2.-
- UniProt
- G4N137
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.89
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hybrid pks-nrps synthetase TAS1 (EC 2.3.1.-, 6.3.2.-) | protein | 436 | 33% helix, 25% strand | G4N137 |
| B | Hybrid pks-nrps synthetase TAS1 (EC 2.3.1.-, 6.3.2.-) | protein | 433 | 33% helix, 25% strand | G4N137 |
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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1145 | 0.89 | 0.91 | 153 | GOL |
| 2 | 113 | 0.49 | 0.80 | 20 | empty |
| 3 | 167 | 0.48 | 0.76 | 21 | empty |
| 4 | 92 | 0.41 | 0.78 | 17 | empty |
| 5 | 65 | 0.35 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2929 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 6KOG · Ketosynthase domain in tenuazonic acid synthetase 1 (TAS1). · the same entry in another collection · chain A against A, TM-score 1.00
- G4N137 · AlphaFold monomer V2.0 prediction for hybrid pks-nrps synthetase TAS1 (G4N137) · a predicted model of the same protein · chain B against A, TM-score 0.92
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 G4N137
- Elsewhere: RCSB PDB 6KOG · PDBe 6KOG · UniProt G4N137
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