Calcium in PDB 4lxo: Crystal Structure of 9,10FN3-Elegantin Chimera

The structure of Crystal Structure of 9,10FN3-Elegantin Chimera, PDB code: 4lxo was solved by Y.S.Chang, J.H.Shiu, W.J.Chuang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.40 / 1.42
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.115, 75.115, 175.880, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.3

The binding sites of Calcium atom in the Crystal Structure of 9,10FN3-Elegantin Chimera (pdb code 4lxo). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of 9,10FN3-Elegantin Chimera, PDB code: 4lxo:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of 9,10FN3-Elegantin Chimera


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 9,10FN3-Elegantin Chimera within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1601 b:16.6 occ:1.00 OE1 A:GLU1392 2.3 11.7 1.0 OD1 B:ASP1438 2.3 13.3 1.0 OE1 A:GLU1364 2.4 14.8 1.0 O B:TRP1437 2.4 10.5 1.0 O B:HOH1848 2.4 14.6 1.0 O B:HOH1718 2.4 11.2 1.0 OE2 A:GLU1364 2.5 14.0 1.0 CD A:GLU1364 2.7 13.1 1.0 CD A:GLU1392 3.3 9.4 1.0 C B:TRP1437 3.4 11.2 1.0 CG B:ASP1438 3.5 14.0 1.0 OE2 A:GLU1392 3.8 11.0 1.0 OG B:SER1470 3.9 9.8 1.0 CA B:ASP1438 3.9 12.2 1.0 OG B:SER1436 3.9 14.6 1.0 N B:ASP1438 4.0 11.6 1.0 NE2 A:GLN1412 4.0 11.6 1.0 O B:HOH1894 4.1 19.8 1.0 CG A:GLU1364 4.2 13.7 1.0 CB B:ASP1438 4.3 13.5 1.0 N B:TRP1437 4.3 11.0 1.0 O A:HOH1976 4.3 24.8 1.0 O A:HOH1940 4.4 19.9 1.0 CA B:TRP1437 4.4 10.7 1.0 OD2 B:ASP1438 4.5 20.5 1.0 CG A:GLU1392 4.6 11.9 1.0 O B:HOH1724 4.6 24.7 1.0 O A:HOH1715 4.8 24.0 1.0 CB A:GLU1392 4.8 10.9 1.0 O B:SER1470 4.8 10.2 1.0 CB B:SER1470 4.8 10.1 1.0 CB A:GLU1364 4.9 12.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of 9,10FN3-Elegantin Chimera


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of 9,10FN3-Elegantin Chimera within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1601 b:15.1 occ:1.00 OD1 A:ASP1438 2.3 12.1 1.0 OE1 B:GLU1392 2.3 10.9 1.0 O A:HOH1705 2.4 12.5 1.0 OE1 B:GLU1364 2.4 14.3 1.0 O A:HOH1708 2.4 9.8 1.0 O A:TRP1437 2.4 9.3 1.0 OE2 B:GLU1364 2.5 12.5 1.0 CD B:GLU1364 2.8 12.8 1.0 CD B:GLU1392 3.3 9.0 1.0 O B:HOH1912 3.4 33.8 1.0 C A:TRP1437 3.4 8.8 1.0 CG A:ASP1438 3.5 12.5 1.0 OE2 B:GLU1392 3.8 10.1 1.0 OG A:SER1470 3.9 9.2 1.0 CA A:ASP1438 3.9 10.3 1.0 OG A:SER1436 3.9 12.3 1.0 N A:ASP1438 4.0 9.8 1.0 O A:HOH1939 4.2 14.2 1.0 NE2 B:GLN1412 4.3 10.9 1.0 CB A:ASP1438 4.3 12.2 1.0 CG B:GLU1364 4.3 13.9 1.0 O B:HOH1893 4.3 18.6 1.0 O B:HOH1746 4.4 16.3 1.0 N A:TRP1437 4.4 9.1 1.0 CA A:TRP1437 4.4 9.7 1.0 OD2 A:ASP1438 4.5 19.8 1.0 CG B:GLU1392 4.6 11.0 1.0 CB B:GLU1392 4.7 10.2 1.0 O A:HOH1752 4.7 26.0 1.0 CB A:SER1470 4.8 9.9 1.0 O A:SER1470 4.8 9.8 1.0 O B:HOH1743 4.9 30.0 1.0 CB B:GLU1364 4.9 11.6 1.0

Y.S.Chang, J.H.Shiu, W.J.Chuang. Design, Structure Determination, and Biological Evaluation of Potent Integrin ALPHA5BETA1-Specific Antagonist Using the Ninth and Tenth Module of Fibronectin Type III Domain To Be Published.