MolNFT v1 · #104795 · protein
Crystal structure of I14V DHFR mutant complexed with folate and NADP+
4QLG · Dihydrofolate reductase: “Crystal structure of I14V DHFR mutant complexed with folate and NADP+”. X-ray diffraction, 2 ligands (FOL, NAP), 3 pockets (best druggability 0.77). MolNFT v1 #104795 on GenesisL1: 3D structure, binding…
- PDB
- 4QLG
- Type
- protein
- Length
- 318 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- U6N356
- Ligands
- FOL, NAP
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydrofolate reductase (EC 1.5.1.3) | protein | 159 | 26% helix, 31% strand | U6N356 |
Ligands and binding sites
- FOL · Folic acid · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 587 | 0.77 | 0.83 | 45 | FOL, NAP |
| 2 | 527 | 0.76 | 0.83 | 45 | FOL, NAP |
| 3 | 97 | 0.33 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 610 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4QLG · Crystal structure of I14V DHFR mutant complexed with folate and NADP+ · 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 U6N356
- Elsewhere: RCSB PDB 4QLG · PDBe 4QLG · UniProt U6N356
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.