3T6G

Structure of the complex between NSP3 (SHEP1) and p130Cas

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)	SH2 domain-containing protein 3C	polymer	331	37003.7	2	UniProt (Q8N5H7) Pfam (PF00617)	Homo sapiens (human)	Novel SH2-containing protein 3
2	B, D (B, D)	Breast cancer anti-estrogen resistance protein 1	polymer	229	25544.7	2	UniProt (P56945) Pfam (PF12026)	Homo sapiens (human)	CRK-associated substrate, Cas scaffolding protein family member 1, p130cas
3	E (C)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4	F, G, H (A, B, C)	water	water		18.0	59	Chemie (HOH)

Sequence modifications

A, C: 382 - 703 (UniProt: Q8N5H7)

PDB	External Database	Details
Met 381	-	initiating methionine
Ser 497	Cys 654	engineered mutation
Ser 598	Cys 755	engineered mutation
Leu 704	-	expression tag
Glu 705	-	expression tag
His 706	-	expression tag
His 707	-	expression tag
His 708	-	expression tag
His 709	-	expression tag
His 710	-	expression tag
His 711	-	expression tag

B, D: 645 - 870 (UniProt: P56945)

PDB	External Database	Details
Met 644	-	initiating methionine
Leu 871	-	expression tag
Glu 872	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	125096.8
Non-Polymers*	Number of molecules	1
	Total formula weight	59.0
All*	Total formula weight	125155.9

*Water molecules are not included.