MolNFT v1 · #17071 · protein
Human dihydrofolate reductase, orthorhombic (P21 21 21) crystal form
1OHK: “Human dihydrofolate reductase, orthorhombic (P21 21 21) crystal form”. X-ray diffraction, 2 ligands (NDP, COP), 2 pockets (best druggability 0.73). MolNFT v1 #17071 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1OHK
- Type
- protein
- Length
- 186 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- P00374
- Ligands
- NDP, COP
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydrofolate reductase (EC 1.5.1.3) | protein | 186 | 23% helix, 34% strand | P00374 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- COP · N-(4-carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 485 | 0.73 | 0.82 | 47 | NDP, COP |
| 2 | 60 | 0.29 | 0.74 | 17 | empty |
Compared structures
- 1OHK · Human dihydrofolate reductase, orthorhombic (P21 21 21) crystal form · the same entry in another collection · chain A against A, TM-score 1.00
- P00374 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P00374) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P00374
- Elsewhere: RCSB PDB 1OHK · PDBe 1OHK · UniProt P00374
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