Calcium in PDB 3p0v: Anti-Egfr/HER3 Fab DL11 Alone

The structure of Anti-Egfr/HER3 Fab DL11 Alone, PDB code: 3p0v was solved by C.Eigenbrot, S.Shia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.375, 77.168, 82.664, 90.00, 99.53, 90.00
R / Rfree (%)	22.7 / 28

The binding sites of Calcium atom in the Anti-Egfr/HER3 Fab DL11 Alone (pdb code 3p0v). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Anti-Egfr/HER3 Fab DL11 Alone, PDB code: 3p0v:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Anti-Egfr/HER3 Fab DL11 Alone


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Anti-Egfr/HER3 Fab DL11 Alone within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca221 b:49.9 occ:1.00 OH L:TYR96 4.0 28.3 1.0 OE2 H:GLU95 4.0 46.9 1.0 OE1 H:GLU95 4.1 49.5 1.0 O H:PHE100 4.2 59.7 1.0 OE1 H:GLU50 4.4 43.6 1.0 CZ3 H:TRP33 4.4 37.4 1.0 CD H:GLU95 4.5 47.1 1.0 CH2 H:TRP33 4.5 38.2 1.0 CE3 H:TRP33 4.6 35.8 1.0 CZ2 H:TRP33 4.7 39.4 1.0 CD H:GLU50 4.8 44.5 1.0 OE2 H:GLU50 4.8 48.4 1.0 CD2 H:TRP33 4.8 37.4 1.0 OE1 L:GLU92 4.9 65.7 1.0 CE2 H:TRP33 4.9 38.2 1.0

Calcium binding site 2 out of 4 in the Anti-Egfr/HER3 Fab DL11 Alone


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Anti-Egfr/HER3 Fab DL11 Alone within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca222 b:43.9 occ:1.00 O H:THR28 2.5 42.9 1.0 OD1 H:ASP32 2.5 45.3 1.0 O H:SER30 2.7 47.0 1.0 OG1 H:THR28 3.2 53.5 1.0 C H:THR28 3.5 47.6 1.0 CG H:ASP32 3.7 39.5 1.0 C H:SER30 3.8 45.4 1.0 CB H:THR28 4.0 51.4 1.0 N H:ASP32 4.1 39.8 1.0 CA H:THR28 4.1 48.9 1.0 N H:THR28 4.3 46.1 1.0 C H:GLY31 4.3 41.9 1.0 CA H:GLY31 4.4 43.9 1.0 C H:LEU29 4.4 45.5 1.0 CB H:ASP32 4.4 35.4 1.0 N H:SER30 4.5 46.9 1.0 N H:LEU29 4.5 46.7 1.0 N H:GLY31 4.5 44.3 1.0 O H:LEU29 4.6 47.4 1.0 OD2 H:ASP32 4.7 35.3 1.0 CA H:SER30 4.7 48.0 1.0 OG H:SER30 4.8 59.6 1.0 CA H:ASP32 4.8 37.0 1.0 CA H:LEU29 4.8 42.8 1.0 O H:GLY31 4.9 41.6 1.0 CD2 H:PHE27 5.0 36.5 1.0

Calcium binding site 3 out of 4 in the Anti-Egfr/HER3 Fab DL11 Alone


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Anti-Egfr/HER3 Fab DL11 Alone within 5.0Å range: probe atom residue distance (Å) B Occ I:Ca221 b:52.6 occ:1.00 OH M:TYR96 3.7 27.4 1.0 OE2 I:GLU95 3.8 46.4 1.0 OE1 I:GLU50 4.1 47.1 1.0 O I:PHE100 4.2 61.2 1.0 OE1 I:GLU95 4.3 50.1 1.0 CZ3 I:TRP33 4.5 38.5 1.0 CD I:GLU95 4.5 45.9 1.0 CD I:GLU50 4.6 47.4 1.0 OE2 I:GLU50 4.6 50.5 1.0 CH2 I:TRP33 4.7 41.0 1.0 CE3 I:TRP33 4.7 35.0 1.0 CZ M:TYR96 4.8 25.8 1.0 OE1 M:GLU92 4.9 68.5 1.0

Calcium binding site 4 out of 4 in the Anti-Egfr/HER3 Fab DL11 Alone


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Anti-Egfr/HER3 Fab DL11 Alone within 5.0Å range: probe atom residue distance (Å) B Occ I:Ca222 b:54.7 occ:1.00 O I:THR28 2.4 44.0 1.0 OD1 I:ASP32 2.4 46.7 1.0 O I:SER30 2.8 49.1 1.0 OG1 I:THR28 2.9 54.8 1.0 C I:THR28 3.4 48.6 1.0 CG I:ASP32 3.6 40.8 1.0 C I:SER30 3.8 47.6 1.0 CB I:THR28 3.9 53.0 1.0 CA I:THR28 4.0 50.0 1.0 N I:ASP32 4.2 41.5 1.0 N I:THR28 4.2 47.1 1.0 CB I:ASP32 4.3 35.9 1.0 C I:GLY31 4.4 43.8 1.0 C I:LEU29 4.4 46.8 1.0 N I:LEU29 4.5 47.4 1.0 N I:SER30 4.5 48.6 1.0 O I:LEU29 4.5 49.0 1.0 CA I:GLY31 4.5 46.5 1.0 OD2 I:ASP32 4.6 37.9 1.0 N I:GLY31 4.6 46.9 1.0 CD2 I:PHE27 4.7 35.9 1.0 CA I:ASP32 4.8 38.5 1.0 CA I:SER30 4.8 50.3 1.0 CA I:LEU29 4.8 43.5 1.0 OG I:SER30 4.9 63.0 1.0 O I:GLY31 5.0 44.0 1.0

G.Schaefer, L.Haber, L.M.Crocker, S.Shia, L.Shao, D.Dowbenko, K.Totpal, A.Wong, C.V.Lee, S.Stawicki, R.Clark, C.Fields, G.D.Lewis Phillips, R.A.Prell, D.M.Danilenko, Y.Franke, J.P.Stephan, J.Hwang, Y.Wu, J.Bostrom, M.X.Sliwkowski, G.Fuh, C.Eigenbrot. A Two-in-One Antibody Against HER3 and Egfr Has Superior Inhibitory Activity Compared with Monospecific Antibodies. Cancer Cell V. 20 472 2011.
ISSN: ISSN 1535-6108
PubMed: 22014573
DOI: 10.1016/J.CCR.2011.09.003