8QVU

Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (H, D)	Elongin-B	polymer	104	11748.4	2	UniProt (Q15370) Pfam (PF00240)	Homo sapiens (human)	EloB,Elongin 18 kDa subunit,RNA polymerase II transcription factor SIII subunit B,SIII p18,Transcription elongation factor B polypeptide 2
2	B, E (G, C)	Elongin-C	polymer	97	10974.6	2	UniProt (Q15369) Pfam (PF03931)	Homo sapiens (human)	EloC,Elongin 15 kDa subunit,RNA polymerase II transcription factor SIII subunit C,SIII p15,Transcription elongation factor B polypeptide 1
3	C, F (F, B)	von Hippel-Lindau disease tumor suppressor	polymer	213	24180.7	2	UniProt (P40337) Pfam (PF01847) Pfam (PF17211)	Homo sapiens (human)
4	G, H (E, A)	Isoform 2B of GTPase KRas	polymer	188	21501.6	2	UniProt (P01116) Pfam (PF00071)	Homo sapiens (human)
5	I (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
6	J, K (B, E)	(2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide	non-polymer		1019.2	2	Chemie (WYL)
7	L, N (E, A)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
8	M, O (E, A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
9	P, Q, R, S, T... (H, G, F, D, C...)	water	water		18.0	66	Chemie (HOH)

Sequence modifications

G, C: 17 - 112 (UniProt: Q15369)

PDB	External Database	Details
Met 16	-	initiating methionine

E, A: 1 - 188 (UniProt: P01116)

PDB	External Database	Details
Asp 12	Gly 12	engineered mutation
Ser 118	Cys 118	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	136810.7
Non-Polymers*	Number of molecules	7
	Total formula weight	3068.5
All*	Total formula weight	139879.2

*Water molecules are not included.