MolNFT v1 · #23657 · protein
Understanding the role of LEU22 variants in methotrexate resistance: comparison of wild-type and LEU22ARG variant mouse and human dihydrofolate reductase
1U70: “Understanding the role of LEU22 variants in methotrexate resistance: comparison of wild-type and LEU22ARG…”. X-ray diffraction, 2 ligands (MTX, NDP), 2 pockets (best druggability 0.74). MolNFT v1 #23657 on GenesisL1: 3D structure…
- PDB
- 1U70
- 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
- P00375
- Ligands
- MTX, NDP
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydrofolate reductase (EC 1.5.1.3) | protein | 186 | 21% helix, 32% strand | P00375 |
Ligands and binding sites
- MTX · Methotrexate · ligand · chains A
- 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 | 501 | 0.74 | 0.82 | 50 | MTX, NDP |
| 2 | 54 | 0.33 | 0.78 | 16 | empty |
Compared structures
- 1U70 · Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of… · the same entry in another collection · chain A against A, TM-score 1.00
- P00375 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P00375) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P00375
- Elsewhere: RCSB PDB 1U70 · PDBe 1U70 · UniProt P00375
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