9WJ6

An integrated in silico-in vitro workflow for discovering high-affinity, selective antibodies to the KRAS(G12D)-MHC I complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, J (I, P)	Peptide from GTPase KRas, N-terminally processed	polymer	10	875.0	2	UniProt (P01116)	Homo sapiens
2	B, F (A, K)	C8K10D5-1 Fab Light chain	polymer	234	25708.6	2		Homo sapiens
3	C, H (E, M)	HLA class I antigen	polymer	280	32694.0	2	UniProt (C1K0Y1)	Homo sapiens (human)	Lymphocyte antigen,MHC class I antigen
4	D, G (B, L)	C8K10D5-1 Fab heavy chain	polymer	255	27236.7	2		Homo sapiens
5	E, I (F, N)	Beta-2-microglobulin	polymer	100	11879.4	2	UniProt (P61769) Pfam (PF07654)	Homo sapiens (human)

Sequence modifications

I, P: 1 - 10 (UniProt: P01116)

PDB	External Database	Details
Asp 3	Gly 12	engineered mutation

E, M: 2 - 274 (UniProt: C1K0Y1)

PDB	External Database	Details
Met 1	-	initiating methionine
His 275	-	expression tag
His 276	-	expression tag
His 277	-	expression tag
His 278	-	expression tag
His 279	-	expression tag
His 280	-	expression tag

F, N: 1 - 99 (UniProt: P61769)

PDB	External Database	Details
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	196787.2
All*	Total formula weight	196787.2

*Water molecules are not included.