Calcium in PDB 1f0r: Crystal Structure of Human Coagulation Factor Xa Complexed with RPR208815

All present enzymatic activity of Crystal Structure of Human Coagulation Factor Xa Complexed with RPR208815:
3.4.21.6;

The structure of Crystal Structure of Human Coagulation Factor Xa Complexed with RPR208815, PDB code: 1f0r was solved by S.Maignan, J.P.Guilloteau, S.Pouzieux, Y.M.Choi-Sledeski, M.R.Becker, S.I.Klein, W.R.Ewing, H.W.Pauls, A.P.Spada, V.Mikol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.510, 72.228, 77.912, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 26.3

The binding sites of Calcium atom in the Crystal Structure of Human Coagulation Factor Xa Complexed with RPR208815 (pdb code 1f0r). 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 Human Coagulation Factor Xa Complexed with RPR208815, PDB code: 1f0r:

Calcium binding site 1 out of 1 in the Crystal Structure of Human Coagulation Factor Xa Complexed with RPR208815


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 Human Coagulation Factor Xa Complexed with RPR208815 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:55.4 occ:1.00 OE1 A:GLU80 2.5 40.3 1.0 O A:ASN72 2.5 32.6 1.0 OD1 A:ASP70 2.6 35.0 1.0 O A:GLN75 2.6 58.5 1.0 O A:HOH496 2.7 42.1 1.0 O A:HOH451 2.8 30.2 1.0 CD A:GLU80 3.4 40.4 1.0 CG A:ASP70 3.4 29.6 1.0 C A:GLN75 3.4 58.7 1.0 C A:ASN72 3.5 30.2 1.0 CG A:GLU80 3.8 33.9 1.0 OD2 A:ASP70 3.9 29.7 1.0 CA A:GLU76 3.9 60.4 1.0 N A:GLU76 4.0 60.5 1.0 N A:ASN72 4.1 26.1 1.0 N A:GLU77 4.1 59.2 1.0 CA A:ASN72 4.3 28.1 1.0 N A:THR73 4.3 32.1 1.0 C A:GLU76 4.4 60.2 1.0 N A:GLN75 4.4 55.9 1.0 CA A:THR73 4.4 35.4 1.0 CA A:GLN75 4.5 57.9 1.0 OE2 A:GLU80 4.5 45.1 1.0 CB A:ASP70 4.5 26.3 1.0 CB A:ASN72 4.6 26.6 1.0 N A:ARG71 4.6 21.2 1.0 CA A:ASP70 4.7 22.6 1.0 CB A:GLU77 4.8 57.1 1.0 C A:THR73 4.8 37.5 1.0 OE1 A:GLU77 4.9 58.5 0.0

S.Maignan, J.P.Guilloteau, S.Pouzieux, Y.M.Choi-Sledeski, M.R.Becker, S.I.Klein, W.R.Ewing, H.W.Pauls, A.P.Spada, V.Mikol. Crystal Structures of Human Factor Xa Complexed with Potent Inhibitors. J.Med.Chem. V. 43 3226 2000.
ISSN: ISSN 0022-2623
PubMed: 10966741
DOI: 10.1021/JM000940U