9YMP

Crystal Structure of human KRAS G12D in complex with GMPPCP and AM-2383

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 (A)	Isoform 2B of GTPase KRas	polymer	184	21135.9	1	UniProt (P01116)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	B (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
3	C (A)	PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER	non-polymer		521.2	1	Chemie (GCP)
4	D (A)	(3R)-1-[(7P)-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol	non-polymer		607.7	1	Chemie (A1AG3)
5	E, F (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	G (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
7	H (A)	water	water		18.0	196	Chemie (HOH)

Sequence modifications

A: 1 - 169 (UniProt: P01116)

PDB	External Database	Details
Met -14	-	initiating methionine
Lys -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Pro -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Asp 12	Gly 12	variant
Ala 118	Cys 118	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21135.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1373.4
All*	Total formula weight	22509.2

*Water molecules are not included.