9U8V

Crystal structure of KRAS-G12D/Y96S mutant in complex with GDP

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	189	21528.1	1	UniProt (P01116) Pfam (PF00071)	Homo sapiens (human)	GTPase KRAS,K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	B (A)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP) PubChem (136073927) PubChem (135398619) PubChem (135402030) PubChem (135431654) PubChem (135566337) PubChem (135760556) PubChem (136026707) PubChem (136053418) PubChem (136663964) PubChem (136664748) PubChem (136759848) PubChem (136759849) PubChem (136759850) PubChem (136836636) PubChem (136847074) PubChem (172898537)
3	C (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
4	D (A)	water	water		18.0	135	Chemie (HOH)

Sequence modifications

A: 1 - 169 (UniProt: P01116)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Asp 12	Gly 12	engineered mutation
Ser 96	Tyr 96	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21528.1
Non-Polymers*	Number of molecules	2
	Total formula weight	467.5
All*	Total formula weight	21995.6

*Water molecules are not included.