9NFB

Structure of the cross-HLA supertype antibody R302 bound to a class I MHC presenting a divarasib-modified KRAS-G12C peptide on HLA-A*02

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)	MHC class I antigen	polymer	307	35420.0	1	UniProt (A0A6S7XV52) Pfam (PF00129) Pfam (PF07654)	Homo sapiens (human)
2	B (B)	Beta-2-microglobulin	polymer	101	11892.3	1	UniProt (P61769) Pfam (PF07654)	Homo sapiens (human)
3	C (C)	GTPase KRas	polymer	10	945.2	1	UniProt (P01116)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
4	D (D)	R302 Fab light chain	polymer	224	23972.5	1		Homo sapiens (human)
5	E (E)	R302 Fab heavy chain	polymer	225	24136.1	1		Homo sapiens (human)
6	F (C)	1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one	non-polymer		624.1	1	Chemie (A1AWR)

Sequence modifications

A: 1 - 275 (UniProt: A0A6S7XV52)

PDB	External Database	Details
Met 0	-	initiating methionine
Gly 276	-	expression tag
Gly 277	-	expression tag
Gly 278	-	expression tag
Ser 279	-	expression tag
Gly 280	-	expression tag
Leu 281	-	expression tag
Asn 282	-	expression tag
Asp 283	-	expression tag
Ile 284	-	expression tag
Phe 285	-	expression tag
Glu 286	-	expression tag
Ala 287	-	expression tag
Gln 288	-	expression tag
Lys 289	-	expression tag
Ile 290	-	expression tag
Glu 291	-	expression tag
Trp 292	-	expression tag
His 293	-	expression tag
Glu 294	-	expression tag
Gly 295	-	expression tag
Gly 296	-	expression tag
Gly 297	-	expression tag
Ser 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag
His 301	-	expression tag
His 302	-	expression tag
His 303	-	expression tag
His 304	-	expression tag
His 305	-	expression tag
His 306	-	expression tag

B: 21 - 119 (UniProt: P61769)

PDB	External Database	Details
Gly 19	-	expression tag
Ser 20	-	expression tag

C: 5 - 14 (UniProt: P01116)

PDB	External Database	Details
Cys 12	Gly 12	variant

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	96366.1
Non-Polymers*	Number of molecules	1
	Total formula weight	624.1
All*	Total formula weight	96990.2

*Water molecules are not included.