6CC9

NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Apolipoprotein A-I	polymer	200	23234.3	2	UniProt (P02647) Pfam (PF01442)	Homo sapiens (Human)	ApoA-I,Apolipoprotein A1
2	B (B)	GTPase KRas	polymer	187	21302.3	1	UniProt (P01116) Pfam (PF00071)	Homo sapiens (Human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
3	AA, AC, BA, BB, CA... (B, C, A)	1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	non-polymer		787.1	64	Chemie (PCW)
4	BC, CC, DC, EC, FC... (C, A, B)	O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine	non-polymer		788.0	16	Chemie (17F) PubChem (57369815) PubChem (99650225) PubChem (122607770) PubChem (124629033) PubChem (16219821) PubChem (58556791) PubChem (125750) PubChem (3451126) PubChem (5830256) PubChem (6438639) PubChem (124226306) PubChem (145954209) PubChem (15409351) PubChem (9547077) PubChem (9547078) PubChem (9898005)
5	YA (B)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	1	Chemie (GNP)
6	ZA (B)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
7	AB (B)	(2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium	non-polymer		447.8	1	Chemie (EWS)

Sequence modifications

A, C: 201 - 398 (UniProt: P02647)

PDB	External Database	Details
Gly 199	-	expression tag
Pro 200	-	expression tag

B: 1 - 185 (UniProt: P01116)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag
Val 12	Gly 12	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	67770.9
Non-Polymers*	Number of molecules	83
	Total formula weight	63978.7
All*	Total formula weight	131749.6

*Water molecules are not included.