MolNFT v1 · #88431 · protein
Structure of salmonella D-lactate dehydrogenase
4CUJ: “Structure of salmonella D-lactate dehydrogenase”. X-ray diffraction, 15 pockets (best druggability 0.78). MolNFT v1 #88431 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4CUJ
- Type
- protein
- Length
- 1,318 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- D-lactate dehydrogenase
- EC
- 1.1.1.28
- UniProt
- Q8Z780
- Pockets
- 15 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | D-lactate dehydrogenase (EC 1.1.1.28) | protein | 330 | 39% helix, 18% strand | Q8Z780 |
| C, D | D-lactate dehydrogenase (EC 1.1.1.28) | protein | 329 | 40% helix, 18% strand | Q8Z780 |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 780 | 0.78 | 0.82 | 93 | empty |
| 2 | 820 | 0.72 | 0.77 | 81 | empty |
| 3 | 428 | 0.68 | 0.80 | 65 | empty |
| 4 | 385 | 0.68 | 0.81 | 45 | empty |
| 5 | 479 | 0.65 | 0.77 | 60 | empty |
Interfaces
6 interfaces between chains.
- A–D · 2686 Ų buried · 44 hydrogen bonds · protein-protein
- B–C · 2683 Ų buried · 42 hydrogen bonds · protein-protein
- C–D · 606 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 573 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 556 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 isopeptide (isopeptide).
Compared structures
- 4CUJ · Structure of Salmonella D-Lactate Dehydrogenase · 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 Q8Z780
- Elsewhere: RCSB PDB 4CUJ · PDBe 4CUJ · UniProt Q8Z780
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