Calcium in PDB 3rb7: Crystal Structure of CBD12 From CALX1.2

The structure of Crystal Structure of CBD12 From CALX1.2, PDB code: 3rb7 was solved by M.Wu, L.Zheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	119.50 / 2.90
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	107.535, 107.535, 358.650, 90.00, 90.00, 120.00
R / Rfree (%)	23.1 / 27.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of CBD12 From CALX1.2 (pdb code 3rb7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 16 binding sites of Calcium where determined in the Crystal Structure of CBD12 From CALX1.2, PDB code: 3rb7:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 16 in the Crystal Structure of CBD12 From CALX1.2


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 CBD12 From CALX1.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:57.9 occ:1.00 OE2 A:GLU520 2.6 48.4 1.0 OD1 A:ASP490 2.8 63.0 1.0 OE1 A:GLU523 2.8 66.6 1.0 OE2 A:GLU523 3.0 70.2 1.0 OD2 A:ASP490 3.1 55.3 1.0 CG A:ASP490 3.2 62.5 1.0 CD A:GLU523 3.2 63.5 1.0 O A:THR484 3.6 72.3 1.0 CD A:GLU520 3.8 56.5 1.0 OE1 A:GLU520 4.4 65.3 1.0 CB A:ASP490 4.6 62.5 1.0 CG A:GLU523 4.7 57.5 1.0 C A:THR484 4.8 68.0 1.0 CB A:THR489 4.9 61.7 1.0 CA A:ALA485 4.9 64.3 1.0 CG A:GLU520 4.9 49.0 1.0 CA A:CA4 5.0 53.7 1.0

Calcium binding site 2 out of 16 in the Crystal Structure of CBD12 From CALX1.2


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 CBD12 From CALX1.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2 b:50.0 occ:1.00 OD2 A:ASP515 2.5 59.3 1.0 OD2 A:ASP552 2.6 52.9 1.0 OD1 A:ASP551 2.7 53.6 1.0 OD1 A:ASP552 2.8 55.7 1.0 O A:ASP516 2.8 53.2 1.0 OE2 A:GLU455 3.0 58.2 1.0 OD2 A:ASP551 3.0 58.6 1.0 CG A:ASP552 3.0 57.9 1.0 CG A:ASP551 3.2 55.4 1.0 CG A:ASP515 3.7 62.7 1.0 C A:ASP516 3.9 56.7 1.0 N A:ASP516 4.0 58.6 1.0 CD A:GLU455 4.1 59.6 1.0 CB A:GLU455 4.2 52.9 1.0 OD1 A:ASP515 4.2 69.8 1.0 CB A:ASP552 4.5 59.6 1.0 CG A:GLU455 4.6 51.2 1.0 OD2 A:ASP516 4.6 58.9 1.0 CA A:ASP516 4.6 57.2 1.0 OD1 A:ASP550 4.6 50.8 1.0 CB A:ASP551 4.7 58.6 1.0 CB A:ASN456 4.7 56.2 1.0 N A:ASP552 4.7 56.9 1.0 CA A:CA3 4.7 48.0 1.0 CB A:ASP515 4.9 60.0 1.0 CA A:ASP515 4.9 59.1 1.0 C A:GLU455 4.9 63.2 1.0 N A:ASP551 4.9 57.1 1.0 C A:ASP551 4.9 58.9 1.0 C A:ASP515 5.0 59.8 1.0 NH2 A:ARG584 5.0 51.6 1.0

Calcium binding site 3 out of 16 in the Crystal Structure of CBD12 From CALX1.2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of CBD12 From CALX1.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3 b:48.0 occ:1.00 OD2 A:ASP516 2.6 58.9 1.0 O A:VAL518 2.7 56.1 1.0 OD1 A:ASP550 2.7 50.8 1.0 OE1 A:GLU520 2.7 65.3 1.0 OE2 A:GLU455 2.8 58.2 1.0 OD1 A:ASP552 2.9 55.7 1.0 CG A:GLU520 3.1 49.0 1.0 OE1 A:GLU455 3.1 59.0 1.0 CD A:GLU455 3.3 59.6 1.0 CD A:GLU520 3.3 56.5 1.0 CG A:ASP516 3.5 59.1 1.0 CG A:ASP550 3.7 50.8 1.0 C A:VAL518 3.7 55.2 1.0 OD1 A:ASP516 3.8 56.9 1.0 N A:GLU520 4.0 50.3 1.0 CG A:ASP552 4.0 57.9 1.0 CA A:CA4 4.1 53.7 1.0 OD2 A:ASP550 4.1 52.5 1.0 CG1 A:VAL518 4.1 56.0 1.0 CB A:GLU520 4.2 50.3 1.0 CB A:VAL518 4.3 52.0 1.0 CA A:VAL518 4.5 50.4 1.0 OE2 A:GLU520 4.6 48.4 1.0 O A:ASP516 4.6 53.2 1.0 N A:PHE519 4.6 53.4 1.0 N A:VAL518 4.6 57.6 1.0 C A:PHE519 4.6 52.9 1.0 CA A:PHE519 4.6 52.2 1.0 CB A:ASP552 4.7 59.6 1.0 CA A:CA2 4.7 50.0 1.0 CG A:GLU455 4.7 51.2 1.0 CA A:GLU520 4.7 52.5 1.0 CB A:ASP550 4.9 57.5 1.0 CB A:ASP516 4.9 56.4 1.0 C A:ASP516 4.9 56.7 1.0

Calcium binding site 4 out of 16 in the Crystal Structure of CBD12 From CALX1.2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of CBD12 From CALX1.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca4 b:53.7 occ:1.00 OD2 A:ASP490 2.6 55.3 1.0 OE1 A:GLU455 2.7 59.0 1.0 OE1 A:GLU520 2.9 65.3 1.0 CD A:GLU520 3.3 56.5 1.0 CD A:GLU455 3.4 59.6 1.0 CG A:ASP490 3.5 62.5 1.0 OE2 A:GLU520 3.5 48.4 1.0 CB A:ASP490 3.6 62.5 1.0 CG2 A:ILE548 3.9 52.2 1.0 CG A:GLU455 4.0 51.2 1.0 CA A:CA3 4.1 48.0 1.0 CG A:GLU520 4.2 49.0 1.0 OE2 A:GLU523 4.3 70.2 1.0 OE2 A:GLU455 4.3 58.2 1.0 CD A:GLU523 4.3 63.5 1.0 OE1 A:GLU523 4.3 66.6 1.0 CB A:ILE548 4.5 59.4 1.0 CB A:GLU520 4.6 50.3 1.0 OD1 A:ASP490 4.6 63.0 1.0 CA A:ASP490 4.6 63.0 1.0 OD1 A:ASP550 4.6 50.8 1.0 CB A:GLU455 4.7 52.9 1.0 O A:GLU521 4.8 67.5 1.0 CD1 A:ILE548 4.8 56.5 1.0 CA A:CA1 5.0 57.9 1.0

Calcium binding site 5 out of 16 in the Crystal Structure of CBD12 From CALX1.2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of CBD12 From CALX1.2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1 b:69.8 occ:1.00 OD1 B:ASP490 2.7 58.6 1.0 OD2 B:ASP490 3.0 58.4 1.0 OE2 B:GLU523 3.1 75.7 1.0 CG B:ASP490 3.1 61.7 1.0 CG B:GLU520 3.5 61.7 1.0 CA B:CA4 3.5 56.2 1.0 CD B:GLU520 3.6 68.0 1.0 OE1 B:GLU520 3.8 61.4 1.0 CD B:GLU523 4.0 73.2 1.0 OE2 B:GLU520 4.1 67.6 1.0 OE1 B:GLU523 4.2 69.0 1.0 CB B:GLU520 4.3 53.4 1.0 OD1 B:ASP516 4.4 62.3 1.0 CB B:ASP490 4.5 60.5 1.0 CA B:ASP490 4.7 57.2 1.0 OG1 B:THR489 4.7 54.6 1.0 O B:THR489 4.8 53.5 1.0 C B:THR489 4.9 55.6 1.0 N B:ASP490 4.9 54.5 1.0

Calcium binding site 6 out of 16 in the Crystal Structure of CBD12 From CALX1.2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of CBD12 From CALX1.2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca731 b:56.2 occ:1.00 OD2 B:ASP515 2.5 61.2 1.0 OD2 B:ASP552 2.6 58.1 1.0 OD1 B:ASP551 2.7 64.0 1.0 O B:ASP516 2.9 64.2 1.0 OD2 B:ASP551 2.9 56.3 1.0 OD1 B:ASP552 3.0 57.3 1.0 OD1 B:ASP515 3.1 62.0 1.0 OE2 B:GLU455 3.1 59.3 1.0 CG B:ASP551 3.1 59.2 1.0 CG B:ASP552 3.1 58.4 1.0 NH2 B:ARG584 3.1 61.5 1.0 CG B:ASP515 3.1 61.2 1.0 C B:ASP516 3.8 61.2 1.0 CZ B:ARG584 4.0 61.9 1.0 O B:ASP551 4.1 62.4 1.0 NE B:ARG584 4.1 62.6 1.0 CD B:GLU455 4.2 66.7 1.0 C B:ASP551 4.4 59.8 1.0 CA B:ASP517 4.4 61.8 1.0 N B:ASP516 4.4 67.2 1.0 N B:ASP517 4.4 60.8 1.0 CB B:ASP551 4.5 59.4 1.0 CB B:ASP552 4.5 60.4 1.0 CB B:ASP515 4.6 56.9 1.0 CA B:CA3 4.8 52.6 1.0 CB B:GLU455 4.8 54.7 1.0 CA B:ASP516 4.8 59.1 1.0 N B:ASP552 4.8 60.8 1.0 CA B:ASP551 4.9 60.9 1.0 CG B:GLU455 4.9 59.8 1.0 CA B:ASP552 5.0 59.0 1.0

Calcium binding site 7 out of 16 in the Crystal Structure of CBD12 From CALX1.2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of CBD12 From CALX1.2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3 b:52.6 occ:1.00 O B:VAL518 2.4 62.2 1.0 OE1 B:GLU520 2.6 61.4 1.0 OE1 B:GLU455 2.6 64.3 1.0 OD1 B:ASP550 2.7 60.5 1.0 OD2 B:ASP516 2.7 58.8 1.0 OD1 B:ASP552 2.7 57.3 1.0 OE2 B:GLU455 2.8 59.3 1.0 CD B:GLU455 3.1 66.7 1.0 CG B:ASP552 3.1 58.4 1.0 C B:VAL518 3.3 61.8 1.0 CD B:GLU520 3.3 68.0 1.0 O B:ASP516 3.3 64.2 1.0 CG B:ASP550 3.4 60.2 1.0 OD2 B:ASP550 3.4 57.5 1.0 OD2 B:ASP552 3.6 58.1 1.0 CG B:ASP516 3.7 60.0 1.0 N B:VAL518 3.7 67.8 1.0 CG B:GLU520 3.7 61.7 1.0 CB B:ASP552 3.9 60.4 1.0 CA B:VAL518 4.0 63.3 1.0 N B:GLU520 4.1 68.7 1.0 OD1 B:ASP516 4.1 62.3 1.0 OE2 B:GLU520 4.1 67.6 1.0 C B:ASP516 4.2 61.2 1.0 N B:PHE519 4.2 62.7 1.0 CA B:PHE519 4.4 60.8 1.0 C B:ASP517 4.5 66.3 1.0 CB B:VAL518 4.6 62.3 1.0 CG B:GLU455 4.6 59.8 1.0 C B:PHE519 4.7 65.9 1.0 N B:ASP516 4.7 67.2 1.0 CA B:CA4 4.7 56.2 1.0 OD2 B:ASP515 4.7 61.2 1.0 CA B:CA731 4.8 56.2 1.0 CB B:GLU520 4.8 53.4 1.0 CB B:ASP516 4.8 62.4 1.0 CA B:ASP516 4.8 59.1 1.0 CB B:ASP550 4.8 66.6 1.0 N B:ASP517 5.0 60.8 1.0

Calcium binding site 8 out of 16 in the Crystal Structure of CBD12 From CALX1.2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of CBD12 From CALX1.2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca4 b:56.2 occ:1.00 OE1 B:GLU520 2.5 61.4 1.0 OD2 B:ASP490 2.6 58.4 1.0 OE1 B:GLU455 3.1 64.3 1.0 CD B:GLU520 3.2 68.0 1.0 OD1 B:ASP516 3.2 62.3 1.0 O B:ILE514 3.3 55.8 1.0 OE2 B:GLU520 3.4 67.6 1.0 CG B:ASP490 3.5 61.7 1.0 CA B:CA1 3.5 69.8 1.0 CA B:ASP490 3.7 57.2 1.0 O B:THR489 3.9 53.5 1.0 CB B:ASP490 4.1 60.5 1.0 CD B:GLU455 4.2 66.7 1.0 CG B:ASP516 4.2 60.0 1.0 O B:ASP490 4.3 58.1 1.0 OD1 B:ASP490 4.3 58.6 1.0 CG B:GLU520 4.3 61.7 1.0 C B:ILE514 4.5 60.6 1.0 C B:ASP490 4.5 57.2 1.0 OE2 B:GLU523 4.5 75.7 1.0 C B:THR489 4.6 55.6 1.0 N B:ASP490 4.6 54.5 1.0 CG B:GLU455 4.6 59.8 1.0 OD2 B:ASP516 4.6 58.8 1.0 CA B:CA3 4.7 52.6 1.0 CG2 B:ILE514 4.9 51.2 1.0 CB B:ILE514 5.0 54.3 1.0

Calcium binding site 9 out of 16 in the Crystal Structure of CBD12 From CALX1.2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of CBD12 From CALX1.2 within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca1 b:67.7 occ:1.00 OD1 E:ASP490 2.9 58.8 1.0 OD2 E:ASP490 2.9 60.0 1.0 OE2 E:GLU520 3.1 58.6 1.0 CG E:ASP490 3.1 60.9 1.0 OG1 E:THR489 3.7 55.5 1.0 OE2 E:GLU523 3.9 64.6 1.0 OE1 E:GLU523 3.9 66.0 1.0 CD E:GLU520 4.2 57.5 1.0 CD E:GLU523 4.4 67.5 1.0 CB E:ASP490 4.4 57.1 1.0 CB E:THR489 4.5 52.9 1.0 N E:ASP490 4.5 53.8 1.0 OG E:SER486 4.6 57.9 1.0 CA E:ASP490 4.6 56.9 1.0 CA E:CA4 4.7 47.1 1.0 C E:THR489 4.9 51.4 1.0 OE1 E:GLU520 5.0 52.5 1.0

Calcium binding site 10 out of 16 in the Crystal Structure of CBD12 From CALX1.2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of CBD12 From CALX1.2 within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca2 b:58.0 occ:1.00 OD2 E:ASP515 2.4 55.7 1.0 OD1 E:ASP551 2.6 55.1 1.0 OE2 E:GLU455 2.6 47.8 1.0 O E:ASP516 2.7 50.1 1.0 OD1 E:ASP552 2.7 52.6 1.0 OD2 E:ASP552 3.1 54.7 1.0 CG E:ASP515 3.2 55.8 1.0 OD1 E:ASP515 3.3 47.8 1.0 CG E:ASP552 3.3 55.8 1.0 CG E:ASP551 3.4 56.0 1.0 OD2 E:ASP551 3.6 55.7 1.0 CD E:GLU455 3.7 55.5 1.0 C E:ASP516 3.9 52.9 1.0 CG E:GLU455 4.1 53.8 1.0 NH2 E:ARG584 4.1 55.0 1.0 N E:ASP516 4.3 60.0 1.0 O E:ASP551 4.4 61.3 1.0 CA E:CA3 4.6 47.1 1.0 O E:ASP517 4.6 61.2 1.0 CB E:ASP515 4.6 56.3 1.0 C E:ASP551 4.7 62.5 1.0 CA E:ASP516 4.8 53.5 1.0 CB E:ASP552 4.8 54.9 1.0 CB E:ASP551 4.8 55.6 1.0 N E:ASP517 4.8 53.1 1.0 CB E:ASN456 4.8 52.8 1.0 OE1 E:GLU455 4.8 56.3 1.0 CA E:ASP517 4.8 51.8 1.0 C E:ASP517 4.9 56.8 1.0 CB E:GLU455 5.0 56.0 1.0 N E:ASP551 5.0 57.3 1.0

M.Wu, S.Tong, J.Gonzalez, V.Jayaraman, J.L.Spudich, L.Zheng. Structural Basis of the Ca(2+) Inhibitory Mechanism of Drosophila Na(+)/Ca(2+) Exchanger Calx and Its Modification By Alternative Splicing. Structure V. 19 1509 2011.
ISSN: ISSN 0969-2126
PubMed: 22000518
DOI: 10.1016/J.STR.2011.07.008