MolNFT v1 · #171252 · protein
Crystal structure of 5-(TRIFLUOROMETHOXY)INDOLINE-2,3-dione covalently bound to the pH domain of BRUTON'S tyrosine kinase mutant R28C
6YYG: “Crystal structure of 5-(TRIFLUOROMETHOXY)INDOLINE-2,3-dione covalently bound to the pH domain of BRUTON'S…”. X-ray diffraction, 3 ligands (Q1B, ZN, MG). MolNFT v1 #171252 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6YYG
- Type
- protein
- Length
- 624 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q06187
- Ligands
- Q1B, ZN, MG
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 164 | — | Q06187 |
| B | — | protein | 153 | — | Q06187 |
| C | — | protein | 156 | — | Q06187 |
| D | — | protein | 151 | — | Q06187 |
Ligands and binding sites
- Q1B · 5-(trifluoromethyloxy)-1,3-dihydroindol-2-one · ligand · 3 copies · chains A, B, D
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 2 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6YYG · Crystal Structure of 5-(trifluoromethoxy)indoline-2,3-dione covalently bound to the PH… · the same entry in another collection · chain D against D, TM-score 1.00
- Q06187 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase btk (Q06187) · a predicted model of the same protein · chain C 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 Q06187
- Elsewhere: RCSB PDB 6YYG · PDBe 6YYG · UniProt Q06187
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