9N48

Crystal structure of PAK1 bound to compound C1

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)	Glutathione S-transferase class-mu 26 kDa isozyme,Serine/threonine-protein kinase PAK 1	polymer	537	61334.5	2	UniProt (P08515) UniProt (Q13153) Pfam (PF02798) Pfam (PF14497) Pfam (PF00069)	Homo sapiens (human)	GST 26,Sj26 antigen,SjGST,Alpha-PAK,p21-activated kinase 1,PAK-1,p65-PAK
2	C, D (A, B)	(6M)-8-[2-(2-aminoethoxy)ethyl]-6-[2-chloro-3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one	non-polymer		488.9	2	Chemie (A1BV1)
3	E, F (A, B)	water	water		18.0	388	Chemie (HOH)

Sequence modifications

A, B: 22 - 238 (UniProt: P08515)

PDB	External Database	Details
Met 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
Gly 21	-	expression tag
Lys 154	Glu 134	conflict
Ser 239	-	linker
Asp 240	-	linker
Gly 241	-	linker
Glu 242	-	linker
Asn 243	-	linker
Leu 244	-	linker
Tyr 245	-	linker
Phe 246	-	linker
Gln 247	-	linker
Gly 248	-	linker

A, B: 249 - 545 (UniProt: Q13153)

PDB	External Database	Details
Asn 389	Asp 389	conflict
Glu 423	Thr 423	conflict
Gly 546	-	expression tag
Asn 547	-	expression tag
Ser 548	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	122669.0
Non-Polymers*	Number of molecules	2
	Total formula weight	977.9
All*	Total formula weight	123646.9

*Water molecules are not included.