MolNFT v1 · #3729 · protein
Dihydrofolate reductase from thermotoga maritima
1D1G: “Dihydrofolate reductase from thermotoga maritima”. X-ray diffraction, 2 ligands (NDP, MTX), 3 pockets (best druggability 0.70). MolNFT v1 #3729 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1D1G
- Type
- protein
- Length
- 328 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- Q60034
- Ligands
- NDP, MTX
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydrofolate reductase (EC 1.5.1.3) | protein | 164 | 24% helix, 37% strand | Q60034 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- MTX · Methotrexate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 420 | 0.70 | 0.81 | 44 | NDP, MTX |
| 2 | 470 | 0.69 | 0.80 | 48 | NDP, MTX |
| 3 | 150 | 0.51 | 0.79 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1610 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
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 Q60034
- Elsewhere: RCSB PDB 1D1G · PDBe 1D1G · UniProt Q60034
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