Bromine in PDB 6wvh: Human Vkor with Brodifacoum

All present enzymatic activity of Human Vkor with Brodifacoum:
1.17.4.4;

The structure of Human Vkor with Brodifacoum, PDB code: 6wvh was solved by S.Liu, N.Sukumar, W.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.47 / 1.99
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.576, 82.593, 78.610, 93.42, 97.48, 104.69
R / Rfree (%)	19.5 / 21.5

The binding sites of Bromine atom in the Human Vkor with Brodifacoum (pdb code 6wvh). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Human Vkor with Brodifacoum, PDB code: 6wvh:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Human Vkor with Brodifacoum


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Vkor with Brodifacoum within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:0.5 occ:1.00 BR3 A:UA7401 0.0 0.5 1.0 C32 A:UA7401 1.9 79.6 1.0 C31 A:UA7401 2.9 58.5 1.0 C33 A:UA7401 2.9 59.9 1.0 H311 A:UA7401 2.9 70.2 1.0 H331 A:UA7401 3.0 71.9 1.0 CG1 A:VAL254 3.8 34.8 1.0 CB A:VAL254 4.0 33.5 1.0 CB A:SER251 4.1 34.8 1.0 C30 A:UA7401 4.2 45.4 1.0 C34 A:UA7401 4.2 44.5 1.0 CA A:SER251 4.2 33.9 1.0 O A:SER251 4.2 33.5 1.0 CG2 A:VAL254 4.5 34.9 1.0 C29 A:UA7401 4.7 36.8 1.0 C A:SER251 4.7 32.6 1.0 CD1 A:PHE229 4.8 23.5 1.0 H301 A:UA7401 4.9 54.4 1.0 H341 A:UA7401 4.9 53.4 1.0

Bromine binding site 2 out of 2 in the Human Vkor with Brodifacoum


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Human Vkor with Brodifacoum within 5.0Å range: probe atom residue distance (Å) B Occ B:Br401 b:0.3 occ:1.00 BR3 B:UA7401 0.0 0.3 1.0 C32 B:UA7401 1.9 73.1 1.0 C31 B:UA7401 2.9 53.6 1.0 C33 B:UA7401 2.9 51.8 1.0 H311 B:UA7401 2.9 64.3 1.0 H331 B:UA7401 3.0 62.2 1.0 CG1 B:VAL254 3.8 30.1 1.0 CB B:VAL254 3.9 30.2 1.0 CB B:SER251 4.0 35.3 1.0 CA B:SER251 4.1 33.7 1.0 O B:SER251 4.1 31.5 1.0 C30 B:UA7401 4.2 41.5 1.0 C34 B:UA7401 4.2 40.1 1.0 CG2 B:VAL254 4.5 32.7 1.0 CD1 B:PHE229 4.6 28.4 1.0 C B:SER251 4.6 32.2 1.0 C29 B:UA7401 4.7 32.6 1.0 H301 B:UA7401 4.9 49.8 1.0 H341 B:UA7401 4.9 48.1 1.0

S.Liu, S.Li, G.Shen, N.Sukumar, A.M.Krezel, W.Li. Structural Basis of Antagonizing the Vitamin K Catalytic Cycle For Anticoagulation. Science 2020.
ISSN: ESSN 1095-9203
PubMed: 33154105
DOI: 10.1126/SCIENCE.ABC5667