MolNFT v1 · #39328 · protein
Solution structure of L.CASEI dihydrofolate reductase complexed with NADPH, 32 structures
2HQP: “Solution structure of L.CASEI dihydrofolate reductase complexed with NADPH, 32 structures”. Solution nmr, 1 ligand (NDP), 2 pockets (best druggability 0.82). MolNFT v1 #39328 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2HQP
- 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
- Pockets
- 2 · best druggability 0.82
Structure
solution nmr · 1 distinct chain · 19% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydrofolate reductase (EC 1.5.1.3) | protein | 162 | 19% helix, 33% strand | P00381 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 752 | 0.82 | 0.85 | 79 | NDP |
| 2 | 87 | 0.42 | 0.78 | 13 | empty |
Compared structures
- 2HQP · Solution structure of L.casei dihydrofolate reductase complexed with NADPH, 32 structures · 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 0.88
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 2HQP · PDBe 2HQP · UniProt P00381
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