4TSM

MBP-fusion protein of PilA1 from C. difficile R20291 residues 26-166

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 (A, B, C)	maltose-binding protein, pilin chimera	polymer	520	56380.5	3	UniProt (D8A942) UniProt (C9YRY2) Pfam (PF01547) UniProt (by SIFTS) (P0AEX9)	Escherichia coli	MBP, Mmbp,PilA1
2	D, E, F (D, E, F)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		666.6	3	In PDB BIRD (PRD_900010) GlyTouCan (G87171PZ)		alpha-maltotetraose
3	G, H, I, J, K... (A, B, C)	trimethylamine oxide	non-polymer		75.1	19	Chemie (TMO)
4	AA, BA, Z (B, C, A)	water	water		18.0	797	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 366 (UniProt: D8A942)

PDB	External Database	Details
Met 0	-	initiating methionine
Ala 82	Asp 108	engineered mutation
Ala 83	Lys 109	engineered mutation
Ala 172	Glu 198	engineered mutation
Ala 173	Asn 199	engineered mutation
Ala 239	Lys 265	engineered mutation
Ala 362	Lys 388	engineered mutation
Ala 363	Asp 389	engineered mutation
Asn 367	-	linker
Ala 368	-	linker
Ala 369	-	linker
Ala 370	-	linker

A, B, C: 1026 - 1164 (UniProt: C9YRY2)

PDB	External Database	Details
Gly 1165	-	expression tag
Ser 1166	-	expression tag
Leu 1167	-	expression tag
Glu 1168	-	expression tag
His 1169	-	expression tag
His 1170	-	expression tag
His 1171	-	expression tag
His 1172	-	expression tag
His 1173	-	expression tag
His 1174	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	169141.5
Branched	Number of molecules	3
	Total formula weight	1999.7
Non-Polymers*	Number of molecules	19
	Total formula weight	1427.1
All*	Total formula weight	172568.4

*Water molecules are not included.