6FA4

Antibody derived (Abd-7) small molecule binding to KRAS.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	GTPase KRas	polymer	173	19701.2	1	UniProt (P01116) Pfam (PF00071)	Homo sapiens (Human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
2	B, C, D, E, F (A, C, D, E, F)	GTPase KRas	polymer	173	19685.2	5	UniProt (P01116) Pfam (PF00071)	Homo sapiens (Human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
3	G, J, N, Q, S... (B, A, C, D, E...)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
4	H, K, O, P, T... (B, A, C, D, E...)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	6	Chemie (GNP)
5	I, L, M, R, W (B, A, D, F)	6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine	non-polymer		391.5	5	Chemie (D1W)
6	AA, BA, CA, X, Y... (D, E, F, B, A...)	water	water		18.0	136	Chemie (HOH)

Sequence modifications

B: 1 - 169 (UniProt: P01116)

PDB	External Database	Details
Ala -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
His 61	Gln 61	engineered mutation

A, C, D, E, F: 1 - 169 (UniProt: P01116)

PDB	External Database	Details
Ala -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
His 61	Gln 61	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	118127.3
Non-Polymers*	Number of molecules	17
	Total formula weight	5236.3
All*	Total formula weight	123363.6

*Water molecules are not included.