Calcium in PDB 3ead: Crystal Structure of Calx-CBD1

The structure of Crystal Structure of Calx-CBD1, PDB code: 3ead was solved by L.Zheng, M.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.59 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.372, 73.722, 129.713, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 26.9

Pages:

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

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of Calx-CBD1 (pdb code 3ead). 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 Calx-CBD1, PDB code: 3ead:
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 Calx-CBD1


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 Calx-CBD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:69.4 occ:1.00 OD2 A:ASP490 2.5 47.2 1.0 OD1 A:ASP490 2.6 46.3 1.0 OE2 A:GLU520 2.6 42.6 1.0 OE1 A:GLU523 2.9 52.4 1.0 CG A:ASP490 2.9 45.5 1.0 OE2 A:GLU523 2.9 47.0 1.0 CD A:GLU523 3.3 50.6 1.0 CD A:GLU520 3.6 43.4 1.0 CA A:CA1002 4.0 70.6 1.0 CG A:GLU520 4.2 43.4 1.0 CB A:ASP490 4.4 44.7 1.0 OE1 A:GLU520 4.5 42.7 1.0 O A:THR484 4.6 50.3 1.0 CG A:GLU523 4.7 49.6 1.0 CB A:GLU520 4.9 43.8 1.0

Calcium binding site 2 out of 16 in the Crystal Structure of Calx-CBD1


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 Calx-CBD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:70.6 occ:1.00 OE1 A:GLU455 2.3 48.9 1.0 OD2 A:ASP490 2.3 47.2 1.0 OE2 A:GLU520 2.5 42.6 1.0 CD A:GLU455 3.1 45.5 1.0 CD A:GLU520 3.2 43.4 1.0 OE1 A:GLU520 3.2 42.7 1.0 OE2 A:GLU455 3.3 47.4 1.0 CG A:ASP490 3.4 45.5 1.0 CB A:ASP490 3.9 44.7 1.0 OE1 A:GLU523 4.0 52.4 1.0 CA A:CA1001 4.0 69.4 1.0 CA A:ASP490 4.2 44.5 1.0 CA A:CA1003 4.3 68.7 1.0 OD1 A:ASP490 4.4 46.3 1.0 CG A:GLU455 4.5 44.1 1.0 O A:ILE514 4.5 42.7 1.0 CG2 A:ILE548 4.6 41.0 1.0 O A:THR489 4.6 45.8 1.0 CG A:GLU520 4.6 43.4 1.0 OD1 A:ASP550 4.7 45.5 1.0 OD1 A:ASP516 4.8 43.1 1.0 CD A:GLU523 5.0 50.6 1.0 OD2 A:ASP516 5.0 44.8 1.0 O A:ASP490 5.0 43.2 1.0

Calcium binding site 3 out of 16 in the Crystal Structure of Calx-CBD1


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 Calx-CBD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:68.7 occ:1.00 OD2 A:ASP552 2.2 44.0 1.0 OE2 A:GLU455 2.2 47.4 1.0 OD2 A:ASP516 2.3 44.8 1.0 OE1 A:GLU520 2.5 42.7 1.0 O A:VAL518 2.6 43.0 1.0 OD1 A:ASP550 2.7 45.5 1.0 CD A:GLU455 2.9 45.5 1.0 CG A:ASP552 3.3 41.9 1.0 OE1 A:GLU455 3.3 48.9 1.0 CG A:ASP516 3.4 43.0 1.0 CD A:GLU520 3.6 43.4 1.0 C A:VAL518 3.7 43.0 1.0 CG A:ASP550 3.8 46.0 1.0 CA A:CA1004 3.8 75.4 1.0 O A:ASP516 3.9 42.5 1.0 OD1 A:ASP552 3.9 40.7 1.0 OD1 A:ASP516 3.9 43.1 1.0 CG A:GLU455 4.0 44.1 1.0 OD2 A:ASP550 4.1 46.2 1.0 N A:VAL518 4.2 42.6 1.0 CA A:CA1002 4.3 70.6 1.0 C A:ASP516 4.4 42.5 1.0 CG A:GLU520 4.4 43.4 1.0 OE2 A:GLU520 4.4 42.6 1.0 CA A:VAL518 4.5 42.7 1.0 OD1 A:ASP551 4.5 44.5 1.0 N A:ASP516 4.6 42.4 1.0 CB A:ASP552 4.6 43.3 1.0 CB A:ASP516 4.6 42.5 1.0 CB A:VAL518 4.7 42.9 1.0 N A:PHE519 4.7 43.4 1.0 CA A:ASP516 4.7 42.4 1.0 N A:GLU520 4.8 43.8 1.0 CA A:PHE519 4.9 43.5 1.0 CB A:GLU455 4.9 43.6 1.0 CB A:GLU520 5.0 43.8 1.0

Calcium binding site 4 out of 16 in the Crystal Structure of Calx-CBD1


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 Calx-CBD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1004 b:75.4 occ:1.00 OD1 A:ASP552 2.0 40.7 1.0 O A:ASP516 2.4 42.5 1.0 OD2 A:ASP515 2.7 39.0 1.0 OD1 A:ASP551 2.8 44.5 1.0 OD2 A:ASP551 2.9 48.7 1.0 CG A:ASP552 2.9 41.9 1.0 CG A:ASP551 3.2 45.5 1.0 OD2 A:ASP552 3.3 44.0 1.0 CG A:GLU455 3.4 44.1 1.0 C A:ASP516 3.6 42.5 1.0 N A:ASP516 3.6 42.4 1.0 OE2 A:GLU455 3.7 47.4 1.0 CG A:ASP515 3.7 42.2 1.0 CA A:CA1003 3.8 68.7 1.0 CD A:GLU455 3.9 45.5 1.0 OD2 A:ASP516 4.1 44.8 1.0 OD1 A:ASP515 4.1 44.0 1.0 CA A:ASP516 4.2 42.4 1.0 CB A:GLU455 4.3 43.6 1.0 OD1 A:ASP517 4.4 40.4 1.0 CB A:ASP552 4.4 43.3 1.0 N A:ASP552 4.5 44.1 1.0 C A:ASP515 4.7 42.1 1.0 N A:ASP517 4.7 42.7 1.0 CB A:ASP551 4.7 45.3 1.0 CA A:ASP515 4.8 42.4 1.0 CB A:ASP515 4.8 42.6 1.0 OD1 A:ASP550 4.9 45.5 1.0 CA A:ASP552 4.9 43.4 1.0 CA A:ASP517 4.9 42.8 1.0

Calcium binding site 5 out of 16 in the Crystal Structure of Calx-CBD1


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 Calx-CBD1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1001 b:53.5 occ:1.00 OE2 B:GLU520 2.5 48.5 1.0 OD1 B:ASP490 2.5 39.5 1.0 O B:HOH165 2.5 46.5 1.0 OE2 B:GLU523 2.6 46.4 1.0 OD2 B:ASP490 2.7 46.7 1.0 OE1 B:GLU523 2.7 47.7 1.0 CG B:ASP490 2.9 44.5 1.0 CD B:GLU523 3.0 48.0 1.0 CD B:GLU520 3.5 48.1 1.0 CA B:CA1002 4.2 46.9 1.0 CG B:GLU520 4.3 48.1 1.0 OE1 B:GLU520 4.3 47.8 1.0 CB B:ASP490 4.4 43.7 1.0 O B:HOH159 4.5 44.3 1.0 CG B:GLU523 4.6 47.5 1.0 O B:THR484 4.7 45.2 1.0 OG1 B:THR489 5.0 44.9 1.0 CA B:ALA485 5.0 44.2 1.0

Calcium binding site 6 out of 16 in the Crystal Structure of Calx-CBD1


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 Calx-CBD1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1002 b:46.9 occ:1.00 OE1 B:GLU455 2.4 46.1 1.0 O B:HOH159 2.5 44.3 1.0 O B:HOH158 2.5 33.5 1.0 OD2 B:ASP490 2.5 46.7 1.0 OE2 B:GLU520 2.6 48.5 1.0 OE1 B:GLU520 2.7 47.8 1.0 CD B:GLU520 3.0 48.1 1.0 CG B:ASP490 3.5 44.5 1.0 CD B:GLU455 3.5 48.1 1.0 CB B:ASP490 4.0 43.7 1.0 CG B:GLU455 4.0 48.6 1.0 CA B:CA1003 4.0 49.6 1.0 CA B:CA1001 4.2 53.5 1.0 CA B:ASP490 4.2 43.6 1.0 OE1 B:GLU523 4.3 47.7 1.0 O B:ILE514 4.3 45.4 1.0 CG B:GLU520 4.4 48.1 1.0 O B:THR489 4.5 42.3 1.0 OD1 B:ASP490 4.5 39.5 1.0 OE2 B:GLU455 4.6 47.7 1.0 OD1 B:ASP550 4.6 43.8 1.0 CB B:GLU520 4.7 47.8 1.0 OD2 B:ASP516 4.8 47.0 1.0 CG2 B:ILE548 4.9 43.8 1.0 O B:ASP490 4.9 44.8 1.0 OD1 B:ASP516 4.9 46.9 1.0 CD B:GLU523 4.9 48.0 1.0 CB B:GLU455 5.0 49.6 1.0

Calcium binding site 7 out of 16 in the Crystal Structure of Calx-CBD1


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 Calx-CBD1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1003 b:49.6 occ:1.00 OD1 B:ASP550 2.3 43.8 1.0 OD2 B:ASP552 2.3 44.7 1.0 OE1 B:GLU520 2.5 47.8 1.0 O B:VAL518 2.5 46.5 1.0 OE1 B:GLU455 2.5 46.1 1.0 OD2 B:ASP516 2.6 47.0 1.0 OE2 B:GLU455 2.6 47.7 1.0 CD B:GLU455 2.9 48.1 1.0 CG B:ASP550 3.5 46.1 1.0 CD B:GLU520 3.5 48.1 1.0 CG B:ASP552 3.5 49.0 1.0 C B:VAL518 3.7 47.2 1.0 CG B:ASP516 3.8 46.3 1.0 CG B:GLU520 4.0 48.1 1.0 CA B:CA1004 4.0 58.9 1.0 CA B:CA1002 4.0 46.9 1.0 OD2 B:ASP550 4.0 46.3 1.0 N B:VAL518 4.1 47.3 1.0 O B:ASP516 4.2 46.6 1.0 C B:ASP516 4.4 46.6 1.0 OD1 B:ASP552 4.4 47.0 1.0 CB B:ASP552 4.4 50.9 1.0 CG B:GLU455 4.4 48.6 1.0 CB B:GLU520 4.4 47.8 1.0 CA B:VAL518 4.4 47.0 1.0 OD1 B:ASP516 4.4 46.9 1.0 OE2 B:GLU520 4.5 48.5 1.0 N B:ASP516 4.6 45.6 1.0 N B:GLU520 4.6 48.0 1.0 CB B:ASP550 4.7 45.6 1.0 N B:ASP517 4.7 46.9 1.0 OD1 B:ASP551 4.7 49.7 1.0 N B:PHE519 4.7 47.2 1.0 C B:ASP517 4.8 47.6 1.0 CB B:VAL518 4.8 47.0 1.0 CA B:ASP516 4.9 45.8 1.0 CB B:ASP516 4.9 45.4 1.0 C B:PHE519 4.9 48.1 1.0 CA B:PHE519 5.0 47.9 1.0

Calcium binding site 8 out of 16 in the Crystal Structure of Calx-CBD1


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 Calx-CBD1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1004 b:58.9 occ:1.00 OD2 B:ASP515 2.2 42.5 1.0 O B:ASP516 2.2 46.6 1.0 OD1 B:ASP551 2.4 49.7 1.0 OD1 B:ASP552 2.5 47.0 1.0 OE2 B:GLU455 2.5 47.7 1.0 OD2 B:ASP552 2.8 44.7 1.0 CG B:ASP552 3.0 49.0 1.0 CG B:ASP515 3.3 44.5 1.0 CG B:ASP551 3.3 49.1 1.0 C B:ASP516 3.4 46.6 1.0 OD2 B:ASP551 3.6 47.2 1.0 CD B:GLU455 3.7 48.1 1.0 OD1 B:ASP515 3.8 44.3 1.0 N B:ASP516 3.8 45.6 1.0 CA B:CA1003 4.0 49.6 1.0 CA B:ASP516 4.2 45.8 1.0 N B:ASP517 4.4 46.9 1.0 CG B:GLU455 4.5 48.6 1.0 CB B:ASP552 4.6 50.9 1.0 OE1 B:GLU455 4.6 46.1 1.0 CB B:ASP515 4.6 44.5 1.0 C B:ASP515 4.6 45.4 1.0 OD2 B:ASP516 4.6 47.0 1.0 CA B:ASP517 4.6 47.4 1.0 CA B:ASP515 4.7 45.2 1.0 CB B:ASP551 4.7 48.9 1.0 C B:ASP551 4.7 49.8 1.0 CB B:GLU455 4.9 49.6 1.0 O B:ASP551 4.9 50.1 1.0 N B:ASP551 4.9 47.5 1.0 N B:ASP552 4.9 50.8 1.0 OD1 B:ASP550 5.0 43.8 1.0

Calcium binding site 9 out of 16 in the Crystal Structure of Calx-CBD1


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 Calx-CBD1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1001 b:52.7 occ:1.00 OE1 C:GLU523 2.2 49.2 1.0 OD2 C:ASP490 2.4 51.1 1.0 OE2 C:GLU520 2.4 52.6 1.0 OD1 C:ASP490 2.7 45.6 1.0 CG C:ASP490 2.9 49.0 1.0 CD C:GLU523 3.3 50.0 1.0 CD C:GLU520 3.4 49.4 1.0 OE2 C:GLU523 3.8 51.8 1.0 OG1 C:THR489 4.1 53.9 1.0 OE1 C:GLU520 4.1 50.1 1.0 CA C:CA1002 4.1 47.1 1.0 CG C:GLU520 4.2 48.5 1.0 O C:HOH173 4.2 30.4 1.0 CB C:ASP490 4.4 48.6 1.0 CG C:GLU523 4.5 49.4 1.0 O C:THR484 4.6 46.8 1.0

Calcium binding site 10 out of 16 in the Crystal Structure of Calx-CBD1


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 Calx-CBD1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1002 b:47.1 occ:1.00 OE1 C:GLU520 2.4 50.1 1.0 OE2 C:GLU520 2.5 52.6 1.0 O C:HOH171 2.5 38.0 1.0 O C:HOH173 2.6 30.4 1.0 OD2 C:ASP490 2.7 51.1 1.0 OE1 C:GLU455 2.7 42.2 1.0 CD C:GLU520 2.8 49.4 1.0 CD C:GLU455 3.5 44.2 1.0 CA C:CA1003 3.8 50.4 1.0 CG C:ASP490 3.9 49.0 1.0 OE2 C:GLU455 4.0 50.2 1.0 OD1 C:ASP516 4.1 44.4 1.0 CA C:CA1001 4.1 52.7 1.0 CG C:GLU520 4.2 48.5 1.0 CB C:ASP490 4.4 48.6 1.0 CG C:GLU455 4.4 44.1 1.0 CA C:ASP490 4.4 49.1 1.0 O C:ILE514 4.5 41.9 1.0 CB C:GLU455 4.5 43.3 1.0 O C:HOH174 4.5 41.0 1.0 OD1 C:ASP550 4.5 41.0 1.0 OE1 C:GLU523 4.7 49.2 1.0 CG2 C:ILE548 4.7 41.7 1.0 CB C:GLU520 4.7 49.2 1.0 O C:THR489 4.8 50.8 1.0 CG C:ASP516 4.9 42.6 1.0 OD1 C:ASP490 4.9 45.6 1.0

M.Wu, M.Wang, L.Zheng. Crystal Structure of Calcium Binding Domain 1 From Calx To Be Published.