6KYH

Crystal structure of Shank3 NTD-ANK A42K mutant in complex with HRas

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	SH3 and multiple ankyrin repeat domains protein 3	polymer	361	40254.5	4	UniProt (Q4ACU6) Pfam (PF12796)	Mus musculus (Mouse)	Shank3,Proline-rich synapse-associated protein 2,ProSAP2,SPANK-2
2	E, F, G, H (F, G, H, E)	GTPase HRas	polymer	171	19302.7	4	UniProt (Q61411) Pfam (PF00071)	Mus musculus (Mouse)	H-Ras-1,Transforming protein p21,c-H-ras,p21ras
3	I, K, M, O (F, G, H, E)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	4	Chemie (GNP)
4	J, L, N, P (F, G, H, E)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)

Sequence modifications

A, B, C, D: 8 - 362 (UniProt: Q4ACU6)

PDB	External Database	Details
Gly 2	-	expression tag
Pro 3	-	expression tag
Gly 4	-	expression tag
Ser 5	-	expression tag
Glu 6	-	expression tag
Phe 7	-	expression tag
Lys 42	Ala 42	engineered mutation
Arg 231	Leu 231	engineered mutation
Tyr 304	Phe 304	engineered mutation

F, G, H, E: 1 - 167 (UniProt: Q61411)

PDB	External Database	Details
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	238228.7
Non-Polymers*	Number of molecules	8
	Total formula weight	2186.0
All*	Total formula weight	240414.7

*Water molecules are not included.