9WS6

Crystal structure of AMP-PNP-bound PAK2 kinase domain containing D368N mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	PAK-2p34	polymer	323	36224.9	4	UniProt (Q13177) Pfam (PF00069)	Homo sapiens (human)	Serine/threonine-protein kinase PAK 2,p34,C-t-PAK2
2	E, J (A, C)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
3	F, H, K, M (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG) PubChem (888)
4	G, I, L, N (A, B, C, D)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL) PubChem (312)
5	O, P, Q, R (A, B, C, D)	water	water		18.0	286	Chemie (HOH)

Sequence modifications

A, B, C, D: 227 - 524 (UniProt: Q13177)

PDB	External Database	Details
Met 202	-	initiating methionine
Gly 203	-	expression tag
Ser 204	-	expression tag
Ser 205	-	expression tag
His 206	-	expression tag
His 207	-	expression tag
His 208	-	expression tag
His 209	-	expression tag
His 210	-	expression tag
His 211	-	expression tag
Ser 212	-	expression tag
Gln 213	-	expression tag
Asp 214	-	expression tag
Leu 215	-	expression tag
Glu 216	-	expression tag
Val 217	-	expression tag
Leu 218	-	expression tag
Phe 219	-	expression tag
Gln 220	-	expression tag
Gly 221	-	expression tag
Pro 222	-	expression tag
His 223	-	expression tag
Met 224	-	expression tag
Ala 225	-	expression tag
Ser 226	-	expression tag
Asn 368	Asp 368	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	144899.6
Non-Polymers*	Number of molecules	10
	Total formula weight	1251.4
All*	Total formula weight	146151.0

*Water molecules are not included.