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Crystal structure of ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S
Analyse Crystal structure of ralstonia sp. alcohol dehydrogenase mutant N15G, G37D… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4I5F
- Type
- protein
- Length
- 1,864 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alclohol DEHYDROGENASE/SHORT-chain dehydrogenase
- UniProt
- C0IR58
- Pockets
- 14 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Alclohol DEHYDROGENASE/SHORT-chain dehydrogenase | protein | 233 | 48% helix, 20% strand | C0IR58 |
Pockets
14 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1091 | 0.84 | 0.85 | 85 | empty |
| 2 | 1118 | 0.84 | 0.85 | 83 | empty |
| 3 | 331 | 0.60 | 0.77 | 37 | empty |
| 4 | 488 | 0.60 | 0.75 | 73 | empty |
| 5 | 336 | 0.59 | 0.77 | 35 | empty |
Interfaces
13 interfaces between chains.
- E–F · 1600 Ų buried · 31 hydrogen bonds · protein-protein
- A–C · 1599 Ų buried · 29 hydrogen bonds · protein-protein
- G–H · 1595 Ų buried · 32 hydrogen bonds · protein-protein
- B–D · 1591 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 1545 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 4I5F · Crystal structure of Ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S · 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 C0IR58
- Elsewhere: RCSB PDB 4I5F · PDBe 4I5F · UniProt C0IR58
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