3W31

Structual basis for the recognition of Ubc13 by the Shigella flexneri effector OspI

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	ORF169b	polymer	220	24118.8	1	UniProt (Q8VSD5) Pfam (PF21435)	Shigella flexneri
2	B (B)	Ubiquitin-conjugating enzyme E2 N	polymer	155	17440.0	1	UniProt (P61088) Pfam (PF00179)	Homo sapiens (human)	Bendless-like ubiquitin-conjugating enzyme, Ubc13, UbcH13, Ubiquitin carrier protein N, Ubiquitin-protein ligase N
3	C, D, E, F (A, B)	IODIDE ION	non-polymer		126.9	4	Chemie (IOD)

Sequence modifications

A: 1 - 212 (UniProt: Q8VSD5)

PDB	External Database	Details
Gly -7	-	expression tag
Pro -6	-	expression tag
Leu -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
Pro -2	-	expression tag
Glu -1	-	expression tag
Phe 0	-	expression tag
Ala 62	Cys 62	engineered mutation

B: 1 - 152 (UniProt: P61088)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	41558.9
Non-Polymers*	Number of molecules	4
	Total formula weight	507.6
All*	Total formula weight	42066.5

*Water molecules are not included.