MolNFT v1 · #23600 · protein
Plasmodium falciparum lactate dehydrogenase complexed with 3,5- dihydroxy-2-naphthoic acid
1U5A · L-lactate dehydrogenase: “Plasmodium falciparum lactate dehydrogenase complexed with 3,5- dihydroxy-2-naphthoic acid”. X-ray diffraction, 1 ligand (BIK), 3 pockets (best druggability 0.65). MolNFT v1 #23600 on GenesisL1: 3D…
- PDB
- 1U5A
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-lactate dehydrogenase
- EC
- 1.1.1.27
- UniProt
- Q27743
- Ligands
- BIK
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-lactate dehydrogenase (EC 1.1.1.27) | protein | 306 | 50% helix, 21% strand | Q27743 |
Ligands and binding sites
- BIK · 3,7-dihydroxy-2-naphthoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 528 | 0.65 | 0.77 | 59 | BIK |
| 2 | 125 | 0.45 | 0.77 | 22 | empty |
| 3 | 66 | 0.28 | 0.72 | 16 | empty |
Compared structures
- 1U5A · Plasmodium falciparum lactate dehydrogenase complexed with 3,5-dihydroxy-2-naphthoic acid · the same entry in another collection · chain A against A, TM-score 1.00
- Q27743 · AlphaFold monomer V2.0 prediction for L-lactate dehydrogenase (Q27743) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q27743
- Elsewhere: RCSB PDB 1U5A · PDBe 1U5A · UniProt Q27743
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