Research workbench
Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from sinorhizobium meliloti 1021
Analyse Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4E4G
- Type
- protein
- Length
- 3,888 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methylmalonate-semialdehyde dehydrogenase
- EC
- 1.2.1.27
- UniProt
- Q92RW4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 6 distinct chains · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Methylmalonate-semialdehyde dehydrogenase (EC 1.2.1.27) | protein | 488 | 41% helix, 24% strand | Q92RW4 |
| B, E | Methylmalonate-semialdehyde dehydrogenase (EC 1.2.1.27) | protein | 486 | 40% helix, 23% strand | Q92RW4 |
| C | Methylmalonate-semialdehyde dehydrogenase (EC 1.2.1.27) | protein | 486 | 41% helix, 23% strand | Q92RW4 |
| F | Methylmalonate-semialdehyde dehydrogenase (EC 1.2.1.27) | protein | 484 | 40% helix, 20% strand | Q92RW4 |
| G | Methylmalonate-semialdehyde dehydrogenase (EC 1.2.1.27) | protein | 485 | 40% helix, 23% strand | Q92RW4 |
| H | Methylmalonate-semialdehyde dehydrogenase (EC 1.2.1.27) | protein | 485 | 40% helix, 23% strand | Q92RW4 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1125 | 0.85 | 0.86 | 78 | empty |
| 2 | 1117 | 0.85 | 0.86 | 73 | empty |
| 3 | 155 | 0.81 | 0.97 | 30 | empty |
| 4 | 142 | 0.81 | 0.98 | 30 | empty |
| 5 | 146 | 0.81 | 0.97 | 28 | empty |
Interfaces
14 interfaces between chains.
- E–F · 2714 Ų buried · 43 hydrogen bonds · protein-protein
- C–D · 2686 Ų buried · 35 hydrogen bonds · protein-protein
- G–H · 2657 Ų buried · 37 hydrogen bonds · protein-protein
- A–B · 2622 Ų buried · 34 hydrogen bonds · protein-protein
- B–D · 1851 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 141 modified (engineered).
Compared structures
- 4E4G · Crystal structure of putative Methylmalonate-semialdehyde dehydrogenase from… · 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 Q92RW4
- Elsewhere: RCSB PDB 4E4G · PDBe 4E4G · UniProt Q92RW4
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