4X6N

FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Coagulation factor XI, light chain	polymer	244	27600.3	1	UniProt (P03951) Pfam (PF00089) In PDB	Homo sapiens (Human)	FXI,Plasma thromboplastin antecedent,PTA
2	H	cleaved peptide	polymer	18	2159.4	1	UniProt (by SIFTS) (P03951) In PDB	Homo sapiens (HUMAN)
3	A	1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea	non-polymer		588.5	1	Chemie (3Y5)
4	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
6		water	water		18.0	177	Chemie (HOH)

Sequence modifications

A: 16 - 245 (UniProt: P03951)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29759.8
Non-Polymers*	Number of molecules	13
	Total formula weight	1367.3
All*	Total formula weight	31127.0

*Water molecules are not included.