4F27

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	Clumping factor B	polymer	363	40063.1	1	UniProt (Q6GDH2) Pfam (PF17961) Pfam (PF10425) In PDB	Staphylococcus aureus	Fibrinogen receptor B, Fibrinogen-binding protein B
2	Q	peptide from Fibrinogen alpha chain	polymer	13	1110.1	1	UniProt (P02671) In PDB	Homo sapiens	Fibrinopeptide A, Fibrinogen alpha chain
3	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4		water	water		18.0	116	Chemie (HOH)

Sequence modifications

A: 197 - 542 (UniProt: Q6GDH2)

PDB	External Database	Details
Mse 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: 10 - 21 (UniProt: P02671)

PDB	External Database	Details
Ala 9	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	41173.1
Non-Polymers*	Number of molecules	2
	Total formula weight	48.6
All*	Total formula weight	41221.8

*Water molecules are not included.