MolNFT v1 · #163086 · protein
Structure based optimization of JAK1-ATP binding pocket inhibitors in the aminopyrazole class
6RSD: “Structure based optimization of JAK1-ATP binding pocket inhibitors in the aminopyrazole class”. X-ray diffraction, 1 ligand (KH8). MolNFT v1 #163086 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6RSD
- Type
- protein
- Length
- 567 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P23458
- Ligands
- KH8
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 286 | — | P23458 |
| B | — | protein | 281 | — | P23458 |
Ligands and binding sites
- KH8 · 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl) methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino) pyrazole-4-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6RSD · Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole… · 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 P23458
- Elsewhere: RCSB PDB 6RSD · PDBe 6RSD · UniProt P23458
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