MolNFT v1 · #186458 · protein
DFRA1 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6- ethylpyrimidin-5-YL)BUT-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228)
7REG: “DFRA1 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6…”. X-ray diffraction, 3 ligands (4SI, NAP, CA). MolNFT v1 #186458 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7REG
- Type
- protein
- Length
- 313 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P00382
- Ligands
- 4SI, NAP, CA
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 156 | — | P00382 |
| B | — | protein | 157 | — | P00382 |
Ligands and binding sites
- 4SI · 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7REG · DfrA1 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn… · the same entry in another collection · chain A against A, TM-score 1.00
- P00382 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase type 1 (P00382) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P00382
- Elsewhere: RCSB PDB 7REG · PDBe 7REG · UniProt P00382
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