MolNFT v1 · #157253 · protein
E. COLI DHFR complex modeled with two ligand states
6MT8 · Dihydrofolate reductase: “E. COLI DHFR complex modeled with two ligand states”. X-ray diffraction, 4 ligands (THG, DHF, MG), 1 pocket (best druggability 0.68). MolNFT v1 #157253 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6MT8
- Type
- protein
- Length
- 159 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- P0ABQ4
- Ligands
- THG, DHF, MG, CL
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydrofolate reductase (EC 1.5.1.3) | protein | 159 | 26% helix, 31% strand | P0ABQ4 |
Ligands and binding sites
- THG · (6S)-5,6,7,8-tetrahydrofolate · ligand · chains A
- DHF · Dihydrofolic acid · ligand · chains A
- MG · Magnesium ion · metal · 4 copies · chains A
- CL · Chloride ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 195 | 0.68 | 0.86 | 25 | THG, DHF |
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 P0ABQ4
- Elsewhere: RCSB PDB 6MT8 · PDBe 6MT8 · UniProt P0ABQ4
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