MolNFT v1 · #136094 · protein
Structure of DHFR with bound phenformin and NADP
5UIH · Dihydrofolate reductase: “Structure of DHFR with bound phenformin and NADP”. X-ray diffraction, 3 ligands (8CV, NAP, NA), 1 pocket (best druggability 0.60). MolNFT v1 #136094 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5UIH
- 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
- 8CV, NAP, NA
- Pockets
- 1 · best druggability 0.60
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
- 8CV · N-(2-phenylethyl)imidodicarbonimidic diamide · ligand · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- NA · Sodium ion · metal · chains A
- BME · Beta-mercaptoethanol · additive · chains A
- EDO · 1,2-ethanediol · additive · 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 | 259 | 0.60 | 0.79 | 42 | 8CV, NAP |
Modifications
Observed in the structure: 1 covalent (additive adduct).
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 5UIH · PDBe 5UIH · UniProt P0ABQ4
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