7ML7

Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Toxin B	polymer	2014	228752.5	1	UniProt (P18177) Pfam (PF12918) Pfam (PF12919) Pfam (PF11713) Pfam (PF12920) Pfam (PF01473)	Clostridioides difficile (Peptoclostridium difficile)
2	B (B)	Chondroitin sulfate proteoglycan 4	polymer	760	82298.3	1	UniProt (Q6UVK1) Pfam (PF02210) Pfam (PF16184)	Homo sapiens (Human)	Chondroitin sulfate proteoglycan NG2,Melanoma chondroitin sulfate proteoglycan,Melanoma-associated chondroitin sulfate proteoglycan
3	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)

Sequence modifications

A: 1 - 1967 (UniProt: P18177)

PDB	External Database	Details
Met -38	-	initiating methionine
Ser -37	-	expression tag
Ala -36	-	expression tag
Trp -35	-	expression tag
Ser -34	-	expression tag
His -33	-	expression tag
Pro -32	-	expression tag
Gln -31	-	expression tag
Phe -30	-	expression tag
Glu -29	-	expression tag
Lys -28	-	expression tag
Gly -27	-	expression tag
Gly -26	-	expression tag
Gly -25	-	expression tag
Ser -24	-	expression tag
Gly -23	-	expression tag
Gly -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Gly -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ala -16	-	expression tag
Trp -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
Pro -12	-	expression tag
Gln -11	-	expression tag
Phe -10	-	expression tag
Glu -9	-	expression tag
Lys -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag
Ala 102	Trp 102	conflict
Asn 286	Asp 286	conflict
Asn 288	Asp 288	conflict
Ala 543	Leu 543	conflict
Leu 1968	-	expression tag
Glu 1969	-	expression tag
His 1970	-	expression tag
His 1971	-	expression tag
His 1972	-	expression tag
His 1973	-	expression tag
His 1974	-	expression tag
His 1975	-	expression tag

B: 30 - 764 (UniProt: Q6UVK1)

PDB	External Database	Details
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
Ser 14	-	expression tag
Gly 15	-	expression tag
Gly 16	-	expression tag
Gly 17	-	expression tag
Ser 18	-	expression tag
Gly 19	-	expression tag
Gly 20	-	expression tag
Gly 21	-	expression tag
Ile 22	-	expression tag
Glu 23	-	expression tag
Gly 24	-	expression tag
Arg 25	-	expression tag
Pro 26	-	expression tag
Ser 27	-	expression tag
Gly 28	-	expression tag
Ser 29	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	311050.8
Non-Polymers*	Number of molecules	1
	Total formula weight	65.4
All*	Total formula weight	311116.2

*Water molecules are not included.