7WR3

Crystal structure of MBP-fused OspC3 in complex with calmodulin

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)	MBP-fused OspC3	polymer	806	90608.6	2	UniProt (P0AEX9) UniProt (R4X5L7) Pfam (PF01547) Pfam (PF06128) UniProt (by SIFTS) (A0A0H2US87)	Bolitoglossa	MMBP,Maltodextrin-binding protein,Maltose-binding protein,MBP
2	C, D (C, D)	Calmodulin-1	polymer	153	17251.0	2	UniProt (P0DP23) Pfam (PF13499)	Homo sapiens (human)
3	E, F (F, G)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	2	In PDB GlyTouCan (G07411ON)
4	G, H, J, K (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	I, L (A, B)	NICOTINAMIDE	non-polymer		122.1	2	Chemie (NCA)
6	M, N, O, P (A, B, C, D)	water	water		18.0	1337	Chemie (HOH)

Sequence modifications

A, B: 2 - 359 (UniProt: P0AEX9)

PDB	External Database	Details
Gly -1	-	expression tag
Pro 0	-	expression tag
Met 1	-	expression tag
Ala 83	Asp 108	engineered mutation
Ala 84	Lys 109	engineered mutation
Ala 173	Glu 198	engineered mutation
Ala 174	Asn 199	engineered mutation
Ala 240	Lys 265	engineered mutation
Ala 360	-	linker
Ala 361	-	linker
Leu 362	-	linker
Ala 363	-	linker
Ala 364	-	linker
Ala 365	-	linker
Gln 366	-	linker
Thr 367	-	linker
Asn 368	-	linker
Ala 369	-	linker
Ala 370	-	linker
Ala 371	-	linker

A, B: 372 - 804 (UniProt: R4X5L7)
C, D: 1 - 149 (UniProt: P0DP23)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	215719.1
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	6
	Total formula weight	628.5
All*	Total formula weight	217032.2

*Water molecules are not included.