MolNFT v1 · #26667 · protein
Crystal structure of malic enzyme from pyrococcus horikoshii OT3
1WW8 · Malate oxidoreductase: “Crystal structure of malic enzyme from pyrococcus horikoshii OT3”. X-ray diffraction, 6 pockets (best druggability 0.75). MolNFT v1 #26667 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1WW8
- Type
- protein
- Length
- 866 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malate oxidoreductase
- EC
- 1.1.1.38
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malate oxidoreductase (EC 1.1.1.38) | protein | 433 | 47% helix, 13% strand | — |
| B | Malate oxidoreductase (EC 1.1.1.38) | protein | 433 | 49% helix, 13% strand | — |
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 | 779 | 0.75 | 0.80 | 66 | empty |
| 2 | 617 | 0.73 | 0.80 | 57 | empty |
| 3 | 196 | 0.58 | 0.81 | 30 | empty |
| 4 | 184 | 0.54 | 0.79 | 28 | empty |
| 5 | 57 | 0.32 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 5265 Ų buried · 60 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 1WW8 · Crystal Structure of malic enzyme from Pyrococcus horikoshii Ot3 · 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
- Elsewhere: RCSB PDB 1WW8 · PDBe 1WW8
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