Research workbench
Chloroquine binds in the cofactor binding site of plasmodium falciparum lactate dehydrogenase.
Analyse Chloroquine binds in the cofactor binding site of plasmodium falciparum lactate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CET
- Type
- protein
- Length
- 305 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (L-lactate dehydrogenase)
- EC
- 1.1.1.27
- UniProt
- Q27743
- Ligands
- CLQ
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (L-lactate dehydrogenase) (EC 1.1.1.27) | protein | 305 | 50% helix, 21% strand | Q27743 |
Ligands and binding sites
- CLQ · N4-(7-chloro-quinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine · 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 | 550 | 0.69 | 0.78 | 53 | empty |
| 2 | 118 | 0.42 | 0.76 | 21 | empty |
| 3 | 81 | 0.31 | 0.73 | 16 | empty |
Compared structures
- 1CET · Chloroquine binds in the cofactor binding site of plasmodium falciparum lactate… · 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 1CET · PDBe 1CET · UniProt Q27743
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