9YMN

Crystal Structure of human KRAS G12D in complex with GDP and compound 7

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)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP)
4	D (A)	(4M)-2-amino-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1-benzothiophene-3-carbonitrile	non-polymer		640.1	1	Chemie (A1CZE)
5	E (A)	water	water		18.0	187	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	3
	Total formula weight	1107.6
All*	Total formula weight	22243.5

*Water molecules are not included.