4F20

Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Clumping factor B	polymer	363	39875.5	1	UniProt (Q6GDH2)	Staphylococcus aureus	Fibrinogen receptor B, Fibrinogen-binding protein B
2	B (Q)	peptide from Dermokine	polymer	13	1096.0	1	UniProt (Q6E0U4)	Homo sapiens	Epidermis-specific secreted protein SK30/SK89
3	C, D (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, F (A, Q)	water	water		18.0	13	Chemie (HOH)

Sequence modifications

A: 197 - 542 (UniProt: Q6GDH2)

PDB	External Database	Details
Met 180	-	expression tag
Arg 181	-	expression tag
Gly 182	-	expression tag
Ser 183	-	expression tag
His 184	-	expression tag
His 185	-	expression tag
His 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag
His 189	-	expression tag
Glu 190	-	expression tag
Asn 191	-	expression tag
Leu 192	-	expression tag
Tyr 193	-	expression tag
Phe 194	-	expression tag
Gln 195	-	expression tag
Gly 196	-	expression tag

Q: 316 - 327 (UniProt: Q6E0U4)

PDB	External Database	Details
Gly 315	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	40971.5
Non-Polymers*	Number of molecules	2
	Total formula weight	48.6
All*	Total formula weight	41020.1

*Water molecules are not included.