MolNFT v1 · #146207 · protein
Discovery of potent 2-aryl-6,7-dihydro-5HPYRROLO[ 1,2-A]IMIDAZOLES as WDR5 win-site inhibitors using fragment-based methods and structure- based design
6DAR: “Discovery of potent 2-aryl-6,7-dihydro-5HPYRROLO[ 1,2-A]IMIDAZOLES as WDR5 win-site inhibitors using…”. X-ray diffraction, 2 ligands (G2J, SO4). MolNFT v1 #146207 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DAR
- Type
- protein
- Length
- 302 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P61964
- Ligands
- G2J, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 302 | — | P61964 |
Ligands and binding sites
- G2J · N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1, 2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6DAR · Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site… · the same entry in another collection · chain A against A, TM-score 1.00
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 P61964
- Elsewhere: RCSB PDB 6DAR · PDBe 6DAR · UniProt P61964
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