MolNFT v1 · #94731 · protein
Crystal structure of ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S, A86N, S88A
4I5G · Alclohol DEHYDROGENASE/SHORT-chain dehydrogenase: “Crystal structure of ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S, A86N, S88A”. X-ray diffraction, 17 pockets (best druggability 0.84). MolNFT v1 #94731 on…
- PDB
- 4I5G
- 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
- 17 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 45% 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 | 45% helix, 20% strand | C0IR58 |
Pockets
17 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1086 | 0.84 | 0.85 | 81 | empty |
| 2 | 1074 | 0.84 | 0.85 | 79 | empty |
| 3 | 617 | 0.67 | 0.77 | 44 | empty |
| 4 | 576 | 0.67 | 0.77 | 40 | empty |
| 5 | 320 | 0.62 | 0.79 | 40 | empty |
Interfaces
15 interfaces between chains.
- A–B · 1609 Ų buried · 28 hydrogen bonds · protein-protein
- C–D · 1608 Ų buried · 27 hydrogen bonds · protein-protein
- E–F · 1606 Ų buried · 26 hydrogen bonds · protein-protein
- G–H · 1596 Ų buried · 30 hydrogen bonds · protein-protein
- A–C · 1559 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 4I5G · 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 4I5G · PDBe 4I5G · UniProt C0IR58
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