MolNFT v1 · #27128 · protein
Chimera isopropylmalate dehydrogenase between bacillus subtilis (M) and thermus thermophilus (T) from N-terminal: 20% T middle 20% M residual 60% T, mutated at S82R. low temperature (100K) structure.
1XAC · 3-isopropylmalate dehydrogenase 2T2M6T S82R: “Chimera isopropylmalate dehydrogenase between bacillus subtilis (M) and thermus thermophilus (T) from…”. X-ray diffraction, 4 pockets (best druggability 0.68). MolNFT v1 #27128 on…
- PDB
- 1XAC
- Type
- protein
- Length
- 345 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-isopropylmalate dehydrogenase 2T2M6T S82R
- EC
- 1.1.1.85
- UniProt
- P00351
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-isopropylmalate dehydrogenase 2T2M6T S82R (EC 1.1.1.85) | protein | 345 | 47% helix, 19% strand | P00351 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 125 | 0.68 | 0.89 | 26 | empty |
| 2 | 52 | 0.50 | 0.87 | 15 | empty |
| 3 | 178 | 0.47 | 0.76 | 26 | empty |
| 4 | 54 | 0.26 | 0.73 | 11 | empty |
Compared structures
- 1XAC · Chimera isopropylmalate dehydrogenase between bacillus subtilis (M) and thermus… · 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 P00351
- Elsewhere: RCSB PDB 1XAC · PDBe 1XAC · UniProt P00351
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