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) PubChem (1061)
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) PubChem (169410198) PubChem (169449364) PubChem (172875658) PubChem (172875721)
7	L, N (E, A)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	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)
8	M, O (E, A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
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.