MolNFT v1 · #67088 · protein
Moritella profunda dihydrofolate reductase (DHFR)
3IA5: “Moritella profunda dihydrofolate reductase (DHFR)”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.73). MolNFT v1 #67088 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3IA5
- Type
- protein
- Length
- 320 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- Q70YQ6
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydrofolate reductase (EC 1.5.1.3) | protein | 159 | 26% helix, 35% strand | Q70YQ6 |
| B | Dihydrofolate reductase (EC 1.5.1.3) | protein | 161 | 25% helix, 35% strand | Q70YQ6 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 708 | 0.73 | 0.79 | 70 | PO4 |
| 2 | 410 | 0.67 | 0.79 | 40 | PO4 |
Interfaces
1 interface between chains.
- A–B · 428 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3IA5 · Moritella profunda dihydrofolate reductase (DHFR) · the same entry in another collection · chain B against B, TM-score 1.00
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 Q70YQ6
- Elsewhere: RCSB PDB 3IA5 · PDBe 3IA5 · UniProt Q70YQ6
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