Research workbench
Crystal structure of lactaldehyde dehydrogenase from E. COLI: the ternary complex with lactate (occupancy 0.5) and NADH. crystals soaked with (L)-lactate.
Analyse Crystal structure of lactaldehyde dehydrogenase from E. COLI: the ternary… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2IMP
- Type
- protein
- Length
- 477 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lactaldehyde dehydrogenase
- EC
- 1.2.1.21, 1.2.1.22
- UniProt
- P25553
- Ligands
- NAI, LAC, SO4
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lactaldehyde dehydrogenase (EC 1.2.1.21, 1.2.1.22) | protein | 477 | 39% helix, 23% strand | P25553 |
Ligands and binding sites
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains A
- LAC · Lactic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 530 | 0.76 | 0.83 | 63 | NAI, LAC |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 2IMP · Crystal structure of lactaldehyde dehydrogenase from E. coli: the ternary complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P25553 · AlphaFold monomer V2.0 prediction for lactaldehyde dehydrogenase (P25553) · 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 P25553
- Elsewhere: RCSB PDB 2IMP · PDBe 2IMP · UniProt P25553
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