MolNFT v1 · #69114 · protein
Dehydratase domain from curk module of curacin polyketide synthase
3KG9: “Dehydratase domain from curk module of curacin polyketide synthase”. X-ray diffraction, 6 pockets (best druggability 0.75). MolNFT v1 #69114 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3KG9
- Type
- protein
- Length
- 560 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Curk
- EC
- 4.2.1.61
- UniProt
- Q6DNE2
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Curk (EC 4.2.1.61) | protein | 281 | 21% helix, 42% strand | Q6DNE2 |
| B | Curk (EC 4.2.1.61) | protein | 279 | 23% helix, 42% strand | Q6DNE2 |
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.75 | 0.94 | 36 | empty |
| 2 | 138 | 0.64 | 0.86 | 32 | empty |
| 3 | 119 | 0.51 | 0.81 | 21 | empty |
| 4 | 134 | 0.51 | 0.80 | 28 | empty |
| 5 | 72 | 0.48 | 0.83 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 735 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3KG9 · Dehydratase domain from CurK module of Curacin polyketide synthase · the same entry in another collection · chain B against B, TM-score 1.00
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 Q6DNE2
- Elsewhere: RCSB PDB 3KG9 · PDBe 3KG9 · UniProt Q6DNE2
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