MolNFT v1 · #80590 · protein
Crystal structure of ipmdh from the last common ancestor of bacillus
3U1H · 3-isopropylmalate dehydrogenase: “Crystal structure of ipmdh from the last common ancestor of bacillus”. X-ray diffraction, 7 pockets (best druggability 0.70). MolNFT v1 #80590 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3U1H
- Type
- protein
- Length
- 712 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-isopropylmalate dehydrogenase
- EC
- 1.1.1.85
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-isopropylmalate dehydrogenase (EC 1.1.1.85) | protein | 355 | 42% helix, 21% strand | — |
| B | 3-isopropylmalate dehydrogenase (EC 1.1.1.85) | protein | 357 | 46% helix, 21% strand | — |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 623 | 0.70 | 0.78 | 44 | empty |
| 2 | 601 | 0.69 | 0.78 | 44 | empty |
| 3 | 153 | 0.67 | 0.88 | 32 | empty |
| 4 | 168 | 0.67 | 0.86 | 24 | empty |
| 5 | 109 | 0.37 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2279 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 3U1H · Crystal structure of IPMDH from the last common ancestor of Bacillus · 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
- Elsewhere: RCSB PDB 3U1H · PDBe 3U1H
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