MolNFT v1 · #25289 · protein
Crystal structure of NAD-dependent malic enzyme (TM0542) from thermotoga maritima at 2.61 a resolution
1VL6 · Malate oxidoreductase: “Crystal structure of NAD-dependent malic enzyme (TM0542) from thermotoga maritima at 2.61 a resolution”. X-ray diffraction, 15 pockets (best druggability 0.87). MolNFT v1 #25289 on GenesisL1: 3D structure…
- PDB
- 1VL6
- Type
- protein
- Length
- 1,486 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malate oxidoreductase
- UniProt
- Q9WZ12
- Pockets
- 15 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Malate oxidoreductase | protein | 377 | 48% helix, 14% strand | Q9WZ12 |
| B | Malate oxidoreductase | protein | 355 | 48% helix, 13% strand | Q9WZ12 |
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1095 | 0.87 | 0.87 | 106 | empty |
| 2 | 667 | 0.75 | 0.81 | 65 | empty |
| 3 | 799 | 0.75 | 0.80 | 76 | empty |
| 4 | 794 | 0.73 | 0.78 | 74 | empty |
| 5 | 401 | 0.70 | 0.82 | 49 | empty |
Interfaces
6 interfaces between chains.
- A–B · 4037 Ų buried · 32 hydrogen bonds · protein-protein
- C–D · 3843 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 765 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 712 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 661 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 23 modified (engineered).
Compared structures
- 1VL6 · Crystal structure of NAD-dependent malic enzyme (TM0542) from Thermotoga maritima at 2.61… · 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 Q9WZ12
- Elsewhere: RCSB PDB 1VL6 · PDBe 1VL6 · UniProt Q9WZ12
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