Research workbench
Trichomonas vaginalis lactate dehydrogenase in complex with NADH
Analyse Trichomonas vaginalis lactate dehydrogenase in complex with NADH in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UUN
- Type
- protein
- Length
- 672 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-lactate dehydrogenase
- EC
- 1.1.1.27
- UniProt
- O96445
- Ligands
- NAI
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-lactate dehydrogenase (EC 1.1.1.27) | protein | 335 | 47% helix, 19% strand | O96445 |
| B | L-lactate dehydrogenase (EC 1.1.1.27) | protein | 337 | 47% helix, 19% strand | O96445 |
Ligands and binding sites
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 617 | 0.69 | 0.77 | 52 | NAI |
| 2 | 656 | 0.68 | 0.76 | 53 | NAI |
| 3 | 417 | 0.63 | 0.77 | 42 | empty |
| 4 | 324 | 0.62 | 0.79 | 36 | empty |
| 5 | 214 | 0.59 | 0.80 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1652 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 4UUN · Trichomonas vaginalis lactate dehydrogenase in complex with NADH · 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 O96445
- Elsewhere: RCSB PDB 4UUN · PDBe 4UUN · UniProt O96445
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