6WV3: Human VKOR with warfarin

Human VKOR with warfarin. Determined by X-ray diffraction at 2.2 Å resolution. Released 11 Nov 2020.

Method
X-ray diffraction
Resolution
2.2 Å
Organisms
Aequorea victoria, Homo sapiens
Chains
1
Atoms
3,222
Mol. weight
45.58 kDa
Ligands
SWF, OLC
Released
11 Nov 2020

Explore 6WV3 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6WV3 contains 15 α-helices and 20 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 15 helices, 20 β-strands

ElementResiduesLengthSheet
α-helix4-85
β-strand11-22121
β-strand25-36121
β-strand41-4881
α-helix57-604
α-helix69-713
β-strand7311
α-helix76-816
α-helix83-864
β-strand92-10091
β-strand105-115111
β-strand118-128111
β-strand14112
β-strand14713
α-helix152-17524
β-strand18714
β-strand19114
α-helix194-1974
α-helix200-2023
β-strand20315
α-helix204-2063
α-helix208-2114
β-strand22115
α-helix222-23716
β-strand23913
α-helix242-26524
α-helix266-2705
α-helix275-29723
β-strand301-30771
β-strand312-322111
β-strand32312
β-strand328-339121
α-helix348-3492
β-strand351-360101
β-strand369-379111

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Vitamin K epoxide reductase, termini restrained by green fluorescent proteinAprotein390Aequorea victoria, Homo sapiensQ9BQB6 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>6WV3_1 Vitamin K epoxide reductase, termini restrained by green fluorescent protein (chains A)
MSKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKFICTTGKLPVPWPTL
VTTLXVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGTYKTRAEVKFEGDTLVNR
IELKGIDFKEDGNILGHKLEYNSTWGSPGWVRLALCLTGLVLSLYALHVKAARARDRDYR
ALCDVGTAISCSRVFSSRWGRGFGLVEHVLGQDSILNQSNSIFGCIFYTLQLLLGCLRTR
WASVLMLLSSLVSLAGSVYLAWILFFVLYDFCIVCITTYAINVSLMWLSFRKVQENSHNV
YITADKQKNGIKANFKIRHNVEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSVLSKD
PNEKRDHMVLLEFVTAAGITHHHHHHHHHH

Ligands and cofactors

IDNameFormulaCopies
SWFS-warfarinC19 H16 O41
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoateC21 H40 O43

Primary citation

Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Liu, S., Li, S., Shen, G. et al. Science (2021) 371. DOI 10.1126/science.abc5667 · PubMed

Other PDB entries of the same protein (UniProt Q9BQB6 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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6WV3 is part of these collections:

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