Magnesium in PDB 1fvu: Crystal Structure of Botrocetin

The structure of Crystal Structure of Botrocetin, PDB code: 1fvu was solved by U.Sen, S.Vasudevan, G.Subbarao, R.A.Mcclintoc, R.Celikel, Z.M.Ruggeri, K.I.Varughese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.829, 69.666, 103.509, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 21.8

The binding sites of Magnesium atom in the Crystal Structure of Botrocetin (pdb code 1fvu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Botrocetin, PDB code: 1fvu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Botrocetin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Botrocetin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:29.0 occ:1.00 O B:SER441 2.3 23.0 1.0 OE1 B:GLU447 2.4 34.9 1.0 OE2 B:GLU522 2.5 36.7 1.0 OG B:SER441 2.6 24.2 1.0 OE1 B:GLU522 2.9 35.0 1.0 CD B:GLU522 3.0 35.0 1.0 CD B:GLU447 3.2 32.6 1.0 C B:SER441 3.3 20.9 1.0 OE2 B:GLU447 3.3 34.6 1.0 CB B:SER441 3.7 24.3 1.0 CA B:SER441 3.9 21.2 1.0 OE1 B:GLN443 3.9 63.0 1.0 N B:SER441 4.0 21.4 1.0 CG B:GLN443 4.0 54.2 1.0 O A:HOH3442 4.3 53.7 1.0 OH B:TYR414 4.3 28.7 1.0 N B:PHE442 4.4 23.4 1.0 CD B:GLN443 4.4 61.5 1.0 CG B:GLU522 4.5 30.4 1.0 CD2 B:HIS412 4.6 41.5 1.0 CG B:GLU447 4.6 29.2 1.0 CA B:PHE442 4.7 24.8 1.0 OD2 A:ASP86 4.7 31.4 1.0 N B:GLN443 4.7 30.5 1.0 NE2 B:HIS412 4.9 41.5 1.0 O B:HOH3263 5.0 38.2 1.0 CE2 B:TYR414 5.0 25.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Botrocetin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Botrocetin within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1002 b:33.9 occ:1.00 O D:SER641 2.4 25.3 1.0 OE2 D:GLU722 2.5 38.3 1.0 OG D:SER641 2.5 24.3 1.0 OE2 D:GLU647 2.5 28.5 1.0 OE1 D:GLU722 3.0 35.4 1.0 CD D:GLU722 3.1 37.0 1.0 CD D:GLU647 3.3 31.3 1.0 C D:SER641 3.3 27.3 1.0 OE1 D:GLU647 3.4 27.3 1.0 NE2 D:GLN643 3.5 92.5 1.0 CB D:SER641 3.6 26.0 1.0 CA D:SER641 3.9 23.6 1.0 N D:SER641 4.1 23.1 1.0 O C:HOH3585 4.2 65.0 1.0 CG D:GLN643 4.2 74.2 1.0 CD D:GLN643 4.3 86.5 1.0 N D:PHE642 4.4 26.5 1.0 OH D:TYR614 4.4 27.2 1.0 OD2 C:ASP286 4.5 25.1 1.0 CG D:GLU722 4.6 30.0 1.0 CE2 D:TYR614 4.7 38.8 1.0 N D:GLN643 4.7 37.0 1.0 CD2 D:HIS612 4.7 60.2 1.0 CG D:GLU647 4.8 25.3 1.0 CA D:PHE642 4.8 30.2 1.0 O D:HOH3232 5.0 41.0 1.0 NE2 D:HIS612 5.0 61.5 1.0 CB D:GLN643 5.0 55.0 1.0

U.Sen, S.Vasudevan, G.Subbarao, R.A.Mcclintock, R.Celikel, Z.M.Ruggeri, K.I.Varughese. Crystal Structure of the Von Willebrand Factor Modulator Botrocetin. Biochemistry V. 40 345 2001.
ISSN: ISSN 0006-2960
PubMed: 11148028
DOI: 10.1021/BI0021737