3GOK

Binding site mapping of protein ligands

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, E...	MAP kinase-activated protein kinase 2	polymer	334	38328.2	12	UniProt (P49137) Pfam (PF00069) In PDB	Homo sapiens (human)	MAPK-activated protein kinase 2, MAPKAP kinase 2, MAPKAPK-2, MK2
2	A, B, C, D, E...	2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE	non-polymer		340.4	12	Chemie (P4O)
3		water	water		18.0	64	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 41 - 364 (UniProt: P49137)

PDB	External Database	Details
Gly 31	-	expression tag
Ala 32	-	expression tag
Met 33	-	expression tag
Gly 34	-	expression tag
Ser 35	-	expression tag
Gly 36	-	expression tag
Ala 37	-	expression tag
Met 38	-	expression tag
Gly 39	-	expression tag
Ser 40	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	459938.9
Non-Polymers*	Number of molecules	12
	Total formula weight	4084.5
All*	Total formula weight	464023.4

*Water molecules are not included.