6KYK

Crystal structure of Shank3 NTD-ANK mutant in complex with Rap1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	SH3 and multiple ankyrin repeat domains protein 3	polymer	374	41394.7	2	UniProt (Q4ACU6) Pfam (PF12796)	Mus musculus (Mouse)	Shank3,Proline-rich synapse-associated protein 2,ProSAP2,SPANK-2
2	C, D, E, F (C, D, E, F)	Ras-related protein Rap-1b	polymer	170	19312.8	4	UniProt (P61224) Pfam (PF00071)	Homo sapiens (Human)	GTP-binding protein smg p21B
3	G, I, K, M (C, D, E, F)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	4	Chemie (GNP)
4	H, J, L, N (C, D, E, F)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	O, P, Q, R, S... (A, B, C, D, E...)	water	water		18.0	73	Chemie (HOH)

Sequence modifications

A, B: 1 - 368 (UniProt: Q4ACU6)

PDB	External Database	Details
Gly -5	-	expression tag
Pro -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Glu -1	-	expression tag
Phe 0	-	expression tag
Arg 231	Leu 231	engineered mutation
Tyr 304	Phe 304	engineered mutation

C, D, E, F: 1 - 167 (UniProt: P61224)

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

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	160040.8
Non-Polymers*	Number of molecules	8
	Total formula weight	2186.0
All*	Total formula weight	162226.8

*Water molecules are not included.