Magnesium in PDB 8epk: Complex of Anticoagulant Rna Aptamer and Human Coagulation Factor Ixa (S195A)

The structure of Complex of Anticoagulant Rna Aptamer and Human Coagulation Factor Ixa (S195A), PDB code: 8epk was solved by V.N.Kolyadko, S.Krishnaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.24 / 2.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.496, 79.579, 84.317, 90, 101.78, 90
R / Rfree (%)	23.1 / 26.1

The structure of Complex of Anticoagulant Rna Aptamer and Human Coagulation Factor Ixa (S195A) also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Fluorine	(F)	22 atoms

The binding sites of Magnesium atom in the Complex of Anticoagulant Rna Aptamer and Human Coagulation Factor Ixa (S195A) (pdb code 8epk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Complex of Anticoagulant Rna Aptamer and Human Coagulation Factor Ixa (S195A), PDB code: 8epk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Complex of Anticoagulant Rna Aptamer and Human Coagulation Factor Ixa (S195A)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complex of Anticoagulant Rna Aptamer and Human Coagulation Factor Ixa (S195A) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg101 b:78.9 occ:1.00 O E:HOH201 2.3 81.7 1.0 O6 E:G23 2.5 81.7 1.0 O E:HOH202 2.7 76.8 1.0 C6 E:G23 3.7 83.3 1.0 O1P E:CFZ21 3.8 81.0 1.0 C5 E:OMU22 4.0 85.3 1.0 O4 E:OMU22 4.3 83.6 1.0 C5 E:G23 4.5 85.2 1.0 C4 E:OMU22 4.6 85.6 1.0 N7 E:G23 4.6 85.8 1.0 N1 E:G23 4.7 84.0 1.0 OP2 E:OMU22 4.7 87.2 1.0 C6 E:OMU22 5.0 87.9 1.0

Magnesium binding site 2 out of 2 in the Complex of Anticoagulant Rna Aptamer and Human Coagulation Factor Ixa (S195A)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Complex of Anticoagulant Rna Aptamer and Human Coagulation Factor Ixa (S195A) within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg101 b:97.7 occ:1.00 O F:HOH203 2.0 99.0 1.0 O F:HOH202 2.1 84.0 1.0 O F:HOH201 2.8 62.7 1.0 O1P F:CFZ21 3.0 74.0 1.0 O6 F:G23 3.1 76.1 1.0 OP2 F:OMU22 3.9 77.5 1.0 C5 F:OMU22 4.0 77.6 1.0 C6 F:G23 4.2 77.9 1.0 P F:CFZ21 4.4 75.8 1.0 O4 F:OMU22 4.6 77.9 1.0 C4 F:OMU22 4.8 78.3 1.0 C6 F:OMU22 4.8 79.1 1.0 N7 F:G23 4.8 79.5 1.0 O5' F:CFZ21 4.8 77.3 1.0 C5 F:CFZ21 4.9 79.0 1.0 C5 F:G23 4.9 79.4 1.0

V.N.Kolyadko, J.M.Layzer, K.Perry, B.A.Sullenger, S.Krishnaswamy. Allosteric Control of Coagulation Factor Ixa Via Its Exosite II Regulates Blood Clotting Proc.Natl.Acad.Sci.Usa 2024.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.2401136121