Research workbench
Crystal structure of the apo form of E.COLI malate dehydrogenase
Analyse Crystal structure of the apo form of E.COLI malate dehydrogenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PWZ
- Type
- protein
- Length
- 1,244 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malate dehydrogenase
- EC
- 1.1.1.37
- UniProt
- P61889
- Pockets
- 16 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E, G | Malate dehydrogenase (EC 1.1.1.37) | protein | 312 | 48% helix, 18% strand | P61889 |
| C | Malate dehydrogenase (EC 1.1.1.37) | protein | 308 | 49% helix, 18% strand | P61889 |
Pockets
16 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1110 | 0.75 | 0.77 | 108 | empty |
| 2 | 648 | 0.69 | 0.77 | 76 | empty |
| 3 | 425 | 0.64 | 0.78 | 44 | empty |
| 4 | 77 | 0.48 | 0.82 | 15 | empty |
| 5 | 181 | 0.45 | 0.75 | 30 | empty |
Interfaces
5 interfaces between chains.
- E–G · 1562 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 1551 Ų buried · 26 hydrogen bonds · protein-protein
- A–E · 279 Ų buried · 2 hydrogen bonds · protein-protein
- C–G · 230 Ų buried · 2 hydrogen bonds · protein-protein
- A–G · 181 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 P61889
- Elsewhere: RCSB PDB 2PWZ · PDBe 2PWZ · UniProt P61889
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