4H1J

Crystal structure of PYK2 with the pyrazole 13a

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Protein-tyrosine kinase 2-beta	polymer	293	33992.3	1	UniProt (Q14289) Pfam (PF07714)	Homo sapiens (human)	PYK2, Calcium-dependent tyrosine kinase, CADTK, Calcium-regulated non-receptor proline-rich tyrosine kinase, Cell adhesion kinase beta, CAK-beta, CAKB, Focal adhesion kinase 2, FADK 2, Proline-rich tyrosine kinase 2, Related adhesion focal tyrosine kinase, RAFTK
2	B (A)	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea	non-polymer		458.6	1	Chemie (0YH)
3	C (A)	water	water		18.0	137	Chemie (HOH)

Sequence modifications

A: 416 - 692 (UniProt: Q14289)

PDB	External Database	Details
Met 400	-	expression tag
His 401	-	expression tag
His 402	-	expression tag
His 403	-	expression tag
His 404	-	expression tag
His 405	-	expression tag
His 406	-	expression tag
Ser 407	-	expression tag
Ser 408	-	expression tag
Gly 409	-	expression tag
Leu 410	-	expression tag
Val 411	-	expression tag
Pro 412	-	expression tag
Arg 413	-	expression tag
Gly 414	-	expression tag
Ser 415	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33992.3
Non-Polymers*	Number of molecules	1
	Total formula weight	458.6
All*	Total formula weight	34450.9

*Water molecules are not included.