Calcium in PDB 3kcg: Crystal Structure of the Antithrombin-Factor Ixa- Pentasaccharide Complex

All present enzymatic activity of Crystal Structure of the Antithrombin-Factor Ixa- Pentasaccharide Complex:
3.4.21.22;

The structure of Crystal Structure of the Antithrombin-Factor Ixa- Pentasaccharide Complex, PDB code: 3kcg was solved by J.A.Huntington, D.J.D.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.05 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.780, 88.440, 147.230, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 23

The binding sites of Calcium atom in the Crystal Structure of the Antithrombin-Factor Ixa- Pentasaccharide Complex (pdb code 3kcg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Antithrombin-Factor Ixa- Pentasaccharide Complex, PDB code: 3kcg:

Calcium binding site 1 out of 1 in the Crystal Structure of the Antithrombin-Factor Ixa- Pentasaccharide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Antithrombin-Factor Ixa- Pentasaccharide Complex within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca500 b:24.0 occ:1.00 O H:GLU75 2.2 34.8 1.0 O H:HOH267 2.2 26.7 1.0 OE2 H:GLU70 2.3 19.4 1.0 OE2 H:GLU80 2.3 26.2 1.0 O H:ASN72 2.4 24.4 1.0 OE1 H:GLU77 2.5 34.1 1.0 OE2 H:GLU77 2.9 38.2 1.0 CD H:GLU77 2.9 35.6 1.0 CD H:GLU70 3.2 22.0 1.0 C H:GLU75 3.4 35.8 1.0 CD H:GLU80 3.4 25.8 1.0 C H:ASN72 3.4 24.5 1.0 OE1 H:GLU70 3.6 21.7 1.0 CG H:GLU80 3.9 22.6 1.0 N H:ASN72 4.0 20.3 1.0 N H:GLU77 4.1 32.3 1.0 N H:GLU75 4.2 35.4 1.0 CA H:THR76 4.2 34.1 1.0 N H:THR76 4.2 35.1 1.0 CA H:ASN72 4.3 23.6 1.0 CG H:GLU77 4.3 34.5 1.0 N H:ILE73 4.3 26.6 1.0 CA H:GLU75 4.4 35.5 1.0 CA H:ILE73 4.4 27.3 1.0 N H:HIS71 4.5 20.7 1.0 OE1 H:GLU80 4.5 26.1 1.0 CG H:GLU70 4.6 18.4 1.0 C H:THR76 4.6 34.0 1.0 CB H:ASN72 4.6 25.4 1.0 CB H:GLU77 4.7 32.3 1.0 C H:ILE73 4.7 29.5 1.0 N H:GLU74 4.9 31.1 1.0 CB H:GLU75 4.9 37.9 1.0 C H:HIS71 5.0 21.1 1.0

D.J.Johnson, J.Langdown, J.A.Huntington. Molecular Basis of Factor Ixa Recognition By Heparin-Activated Antithrombin Revealed By A 1.7-A Structure of the Ternary Complex. Proc.Natl.Acad.Sci.Usa V. 107 645 2010.
ISSN: ISSN 0027-8424
PubMed: 20080729
DOI: 10.1073/PNAS.0910144107