MolNFT v1 · #13987 · protein
Solution structure of dihydrofolate reductase complexed with trimethoprim and NADPH, 24 structures
1LUD: “Solution structure of dihydrofolate reductase complexed with trimethoprim and NADPH, 24 structures”. Solution nmr, 2 ligands (NDP, TRR), 1 pocket (best druggability 0.70). MolNFT v1 #13987 on GenesisL1: 3D structure, binding sites…
- PDB
- 1LUD
- Type
- protein
- Length
- 162 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- P00381
- Ligands
- NDP, TRR
- Pockets
- 1 · best druggability 0.70
Structure
solution nmr · 1 distinct chain · 22% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydrofolate reductase (EC 1.5.1.3) | protein | 162 | 22% helix, 31% strand | P00381 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- TRR · 2,4-diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium · ligand · 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 | 405 | 0.70 | 0.81 | 46 | NDP, TRR |
Compared structures
- 1LUD · Solution structure of dihydrofolate reductase complexed with trimethoprim and NADPH, 24… · the same entry in another collection · chain A against A, TM-score 1.00
- P00381 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P00381) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P00381
- Elsewhere: RCSB PDB 1LUD · PDBe 1LUD · UniProt P00381
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