MolNFT v1 · #78855 · protein
Structure of ketoreductase and enoylreductase didomain from modular polyketide synthase
3SLK · Polyketide synthase extender module 2: “Structure of ketoreductase and enoylreductase didomain from modular polyketide synthase”. X-ray diffraction, 2 ligands (NDP, SO4), 20 pockets (best druggability 0.76). MolNFT v1 #78855 on…
- PDB
- 3SLK
- Type
- protein
- Length
- 1,494 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase extender module 2
- EC
- 1.1.1.100, 1.3.1.9
- UniProt
- Q9ALM5
- Ligands
- NDP, SO4
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Polyketide synthase extender module 2 (EC 1.1.1.100, 1.3.1.9) | protein | 747 | 36% helix, 20% strand | Q9ALM5 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 584 | 0.76 | 0.82 | 54 | NDP |
| 2 | 640 | 0.76 | 0.81 | 51 | NDP |
| 3 | 833 | 0.75 | 0.79 | 51 | empty |
| 4 | 791 | 0.74 | 0.79 | 51 | empty |
| 5 | 520 | 0.63 | 0.76 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 268 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3SLK · Structure of ketoreductase and enoylreductase didomain from modular polyketide synthase · the same entry in another collection · chain A against A, 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 Q9ALM5
- Elsewhere: RCSB PDB 3SLK · PDBe 3SLK · UniProt Q9ALM5
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