MolNFT v1 · #82420 · protein
Chimera 3-isopropylmalate dehydrogenase between shewanella oneidensis mr-1 (O) and shewanella benthica DB21 mt-2 (M) from N-terminal: 20% O middle 70% M residual 10% O
3VML: “Chimera 3-isopropylmalate dehydrogenase between shewanella oneidensis mr-1 (O) and shewanella benthica DB21…”. X-ray diffraction, 3 ligands (IPM, MG, CL), 2 pockets (best druggability 0.58). MolNFT v1 #82420 on GenesisL1: 3D…
- PDB
- 3VML
- Type
- protein
- Length
- 363 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-isopropylmalate dehydrogenase
- EC
- 1.1.1.85
- UniProt
- Q8E9N3, D2YZL2
- Ligands
- IPM, MG, CL
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-isopropylmalate dehydrogenase (EC 1.1.1.85) | protein | 363 | 48% helix, 18% strand | Q8E9N3, D2YZL2 |
Ligands and binding sites
- IPM · 3-isopropylmalic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 264 | 0.58 | 0.78 | 42 | IPM |
| 2 | 280 | 0.56 | 0.76 | 33 | empty |
Compared structures
- 3VML · Chimera 3-isopropylmalate dehydrogenase between Shewanella oneidensis MR-1 (O) and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8E9N3 · AlphaFold monomer V2.0 prediction for 3-isopropylmalate dehydrogenase (Q8E9N3) · a predicted model of the same protein · 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 Q8E9N3
- Every structure of UniProt D2YZL2
- Elsewhere: RCSB PDB 3VML · PDBe 3VML · UniProt Q8E9N3 · UniProt D2YZL2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.