MolNFT v1 · #191376 · protein
Refined crystal structures of chicken liver dihydrofolate reductase. 3 ångströms apo-enzyme and 1.7 ångströms NADPH holo-enzyme complex
8DFR: “Refined crystal structures of chicken liver dihydrofolate reductase. 3 ångströms apo-enzyme and 1.7 ångströms…”. X-ray diffraction, 2 ligands (NDP, CA), 3 pockets (best druggability 0.72). MolNFT v1 #191376 on GenesisL1: 3D…
- PDB
- 8DFR
- Type
- protein
- Length
- 186 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- P00378
- Ligands
- NDP, CA
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydrofolate reductase (EC 1.5.1.3) | protein | 186 | 23% helix, 34% strand | P00378 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- CA · Calcium ion · metal · 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 | 499 | 0.72 | 0.81 | 48 | NDP |
| 2 | 52 | 0.36 | 0.79 | 12 | empty |
| 3 | 54 | 0.31 | 0.76 | 13 | empty |
Compared structures
- 8DFR · Refined crystal structures of chicken liver dihydrofolate reductase. 3 ångströms… · the same entry in another collection · chain A against A, TM-score 1.00
- P00378 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P00378) · 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 P00378
- Elsewhere: RCSB PDB 8DFR · PDBe 8DFR · UniProt P00378
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