MolNFT v1 · #146458 · protein

Crystal structure of btk in complex with covalent inhibitor

6DI5: “Crystal structure of btk in complex with covalent inhibitor”. X-ray diffraction, 1 ligand (GJ7). MolNFT v1 #146458 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6DI5
Type: protein
Length: 271 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q06187
Ligands: GJ7

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	271	—	Q06187

Ligands and binding sites

GJ7 · 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide · ligand · chains A
DMS · Dimethyl sulfoxide · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

6DI5 · Crystal structure of btk in complex with covalent inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
Q06187 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase btk (Q06187) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 6DI5 · PDBe 6DI5 · UniProt Q06187

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