6WV3

Human VKOR with warfarin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Vitamin K epoxide reductase, termini restrained by green fluorescent protein	polymer	392	44197.4	1	UniProt (A0A059PIQ0) UniProt (Q9BQB6) Pfam (PF01353) Pfam (PF07884) UniProt (by SIFTS) (P42212)	Aequorea victoria (Jellyfish)	Vitamin K1 2,3-epoxide reductase subunit 1
2	B, C, D (A)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	3	Chemie (OLC)
3	E (A)	S-WARFARIN	non-polymer		308.3	1	Chemie (SWF)
4	F (A)	water	water		18.0	144	Chemie (HOH)

Sequence modifications

A: 1 - 144 (UniProt: A0A059PIQ0)

PDB	External Database	Details
Ser 2	Arg 2	conflict
Arg 30	Ser 30	conflict
Cro 66	Thr 65	chromophore
Cro 66	Tyr 66	chromophore
Cro 66	Gly 67	chromophore
Ser 72	Ala 72	conflict
Arg 80	Gln 80	conflict

A: 145 - 297 (UniProt: Q9BQB6)
A: 298 - 383 (UniProt: A0A059PIQ0)

PDB	External Database	Details
Val 358	Ala 206	conflict
His 384	-	expression tag
His 385	-	expression tag
His 386	-	expression tag
His 387	-	expression tag
His 388	-	expression tag
His 389	-	expression tag
His 390	-	expression tag
His 391	-	expression tag
His 392	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44197.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1377.9
All*	Total formula weight	45575.4

*Water molecules are not included.