6TWC

Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Double Bridged Peptide F21

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Coagulation factor XI	polymer	244	27600.3	1	UniProt (P03951) Pfam (PF00089)	Homo sapiens (Human)	FXI,Plasma thromboplastin antecedent,PTA
2	B (H)	Coagulation factor XI	polymer	18	2159.4	1	UniProt (P03951)	Homo sapiens (Human)	FXI,Plasma thromboplastin antecedent,PTA
3	C (C)	Double Bridged Peptide F21	polymer	12	1428.8	1		synthetic construct
4	D, E (C)	ACETONE	non-polymer		58.1	2	Chemie (ACN)

Sequence modifications

A: 16 - 245 (UniProt: P03951)

PDB	External Database	Details
Gly 113	Asn 491	conflict
Gly 115	Thr 493	conflict
His 246	-	expression tag
His 247	-	expression tag
His 248	-	expression tag
His 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag

H: 357 - 369 (UniProt: P03951)

PDB	External Database	Details
Met 352	-	initiating methionine
Asp 353	-	expression tag
Asp 354	-	expression tag
Asp 355	-	expression tag
Asp 356	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	31188.6
Non-Polymers*	Number of molecules	2
	Total formula weight	116.2
All*	Total formula weight	31304.7

*Water molecules are not included.