MolNFT v1 · #72171 · protein
Hdhfr double mutant Q35S/N64F trimethoprim binary complex
3N0H · Dihydrofolate reductase: “Hdhfr double mutant Q35S/N64F trimethoprim binary complex”. X-ray diffraction, 2 ligands (TOP, SO4), 2 pockets (best druggability 0.73). MolNFT v1 #72171 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3N0H
- 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
- P00374
- Ligands
- TOP, SO4
- Pockets
- 2 · best druggability 0.73
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 | P00374 |
Ligands and binding sites
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 | 523 | 0.73 | 0.82 | 48 | TOP, SO4 |
| 2 | 57 | 0.32 | 0.76 | 19 | empty |
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 P00374
- Elsewhere: RCSB PDB 3N0H · PDBe 3N0H · UniProt P00374
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