ISDA: 9XYY

Deposition Date 2025-08-26

Release Date 2026-09-09

Last Version Date 2026-09-09

Entry Detail

PDB ID:

9XYY

Keywords:

TRANSFERASE

Title:

Crystal structure of BTK kinase domain bound to an ibrutinib analog with a 2-butynamide warhead

Biological Source:

Source Organism(s):

Mus musculus (Taxon ID: 10090)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.48 Å

R-Value Free:

0.24

R-Value Work:

0.21

R-Value Observed:

0.21

Space Group:

P 61

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Tyrosine-protein kinase BTK
Gene (Uniprot):Btk
Mutagens:K430R, L542M S543T, V555T, R562K, S564A, P565S, Y617P
Chain IDs:A
Chain Length:271
Number of Molecules:1
Biological Source:Mus musculus

UniProt ID:P35991 Pfam ID:PF07714 EC:2.7.10.2

Ligand Molecules

A1CSA

Primary Citation

Covalent warheads on clinically approved BTK inhibitors cause distinct dynamic changes within BTK kinase

Lin, D.Y, Joseph, R.E, Andreotti, A.H.Show

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Primary Citation of related structures

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