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Calcium in PDB 2q1j: The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors

Enzymatic activity of The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors

All present enzymatic activity of The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors:
3.4.21.6;

Protein crystallography data

The structure of The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors, PDB code: 2q1j was solved by J.T.Kohrt, K.J.Filipski, W.L.Cody, C.F.Bigge, E.Zhang, B.C.Finzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.896, 72.741, 78.335, 90.00, 90.00, 90.00
R / Rfree (%) 23 / 27.2

Other elements in 2q1j:

The structure of The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors also contains other interesting chemical elements:

Fluorine (F) 1 atom
Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors (pdb code 2q1j). 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 The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors, PDB code: 2q1j:

Calcium binding site 1 out of 1 in 2q1j

Go back to Calcium Binding Sites List in 2q1j
Calcium binding site 1 out of 1 in the The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca901

b:36.2
occ:1.00
O A:ASN72 2.3 28.0 1.0
O A:HOH934 2.3 28.4 1.0
OD1 A:ASP70 2.4 24.0 1.0
O A:GLN75 2.4 52.1 1.0
OE1 A:GLU80 2.5 37.0 1.0
O A:HOH922 2.9 29.7 1.0
C A:ASN72 3.3 28.9 1.0
CG A:ASP70 3.4 26.7 1.0
CD A:GLU80 3.4 37.6 1.0
C A:GLN75 3.6 52.9 1.0
CG A:GLU80 3.7 34.5 1.0
OD2 A:ASP70 3.8 28.2 1.0
N A:ASN72 4.0 27.5 1.0
OE1 A:GLU76 4.1 64.0 1.0
CA A:ASN72 4.1 28.2 1.0
N A:GLU77 4.2 52.4 1.0
CA A:GLU76 4.2 54.6 1.0
N A:THR73 4.2 30.3 1.0
N A:GLU76 4.3 53.5 1.0
CA A:THR73 4.4 34.0 1.0
CB A:ASN72 4.4 30.8 1.0
OE2 A:GLU80 4.5 34.6 1.0
CB A:ASP70 4.6 22.8 1.0
N A:ARG71 4.6 23.6 1.0
N A:GLN75 4.6 50.2 1.0
CA A:GLN75 4.7 52.4 1.0
C A:GLU76 4.7 53.7 1.0
CA A:ASP70 4.8 24.1 1.0
C A:THR73 4.8 37.4 1.0
CG A:GLU77 4.9 55.4 1.0
CB A:GLU77 5.0 52.9 1.0

Reference:

J.T.Kohrt, K.J.Filipski, W.L.Cody, C.F.Bigge, F.La, K.Welch, T.Dahring, J.W.Bryant, D.Leonard, G.Bolton, L.Narasimhan, E.Zhang, J.T.Peterson, S.Haarer, V.Sahasrabudhe, N.Janiczek, S.Desiraju, M.Hena, C.Fiakpui, N.Saraswat, R.Sharma, S.Sun, S.N.Maiti, R.Leadley, J.J.Edmunds. The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors Bioorg.Med.Chem. V. 14 4379 2006.
ISSN: ISSN 0968-0896
PubMed: 16529937
DOI: 10.1016/J.BMC.2006.02.040
Page generated: Sat Dec 12 03:50:46 2020

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