MolNFT v1 · #160672 · protein
S. aureus dihydrofolate reductase co-crystallized with benzyl- dihydropthalazine inhibitor and NADP(H)
6PR7: “S. aureus dihydrofolate reductase co-crystallized with benzyl- dihydropthalazine inhibitor and NADP(H)”. X-ray diffraction, 2 ligands (NAP, OWP). MolNFT v1 #160672 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6PR7
- Type
- protein
- Length
- 163 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0A017
- Ligands
- NAP, OWP
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 163 | — | P0A017 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- OWP · (2E)-1-[(1S)-1-benzylphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6PR7 · S. aureus dihydrofolate reductase co-crystallized with benzyl-dihydropthalazine inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A017 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P0A017) · 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 P0A017
- Elsewhere: RCSB PDB 6PR7 · PDBe 6PR7 · UniProt P0A017
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