9D4X

Structure of PAK1 in complex with compound 16

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Serine/threonine-protein kinase PAK 1	polymer	296	33199.2	2	UniProt (Q13153) Pfam (PF00069)	Homo sapiens (human)	Alpha-PAK,p21-activated kinase 1,PAK-1,p65-PAK
2	C, D (A, B)	N~2~-{[(1R,3R,4S)-4-amino-3-(3-chlorophenyl)cyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine	non-polymer		455.0	2	Chemie (A1A2S)
3	E, F (A, B)	water	water		18.0	100	Chemie (HOH)

Sequence modifications

A, B: 250 - 545 (UniProt: Q13153)

PDB	External Database	Details
Asn 389	Asp 389	engineered mutation
Glu 423	Thr 423	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66398.4
Non-Polymers*	Number of molecules	2
	Total formula weight	910.0
All*	Total formula weight	67308.4

*Water molecules are not included.