MolNFT v1 · #145763 · protein
Crystal structure of a dihydrofolate reductase from mycobacterium smegmatis in complex with NADP and P218
6CXM: “Crystal structure of a dihydrofolate reductase from mycobacterium smegmatis in complex with NADP and P218”. X-ray diffraction, 2 ligands (NAP, MMV), 2 pockets (best druggability 0.77). MolNFT v1 #145763 on GenesisL1: 3D structure…
- PDB
- 6CXM
- Type
- protein
- Length
- 310 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- I7FC10
- Ligands
- NAP, MMV
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydrofolate reductase (EC 1.5.1.3) | protein | 155 | 18% helix, 33% strand | I7FC10 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- MMV · 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)propanoic acid · ligand · 2 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 | 954 | 0.77 | 0.80 | 90 | NAP, MMV |
| 2 | 485 | 0.73 | 0.82 | 47 | NAP, MMV |
Interfaces
1 interface between chains.
- A–B · 324 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6CXM · Crystal structure of a dihydrofolate reductase from Mycobacterium smegmatis in complex… · the same entry in another collection · chain A against A, 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 I7FC10
- Elsewhere: RCSB PDB 6CXM · PDBe 6CXM · UniProt I7FC10
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.