Calcium in PDB 4guk: New Crystal Form Structure of Human NCS1

The structure of New Crystal Form Structure of Human NCS1, PDB code: 4guk was solved by Chengpeng F., Elias L., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.75
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	54.987, 54.987, 213.954, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 24.3

The structure of New Crystal Form Structure of Human NCS1 also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Calcium atom in the New Crystal Form Structure of Human NCS1 (pdb code 4guk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the New Crystal Form Structure of Human NCS1, PDB code: 4guk:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 12 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca206 b:30.7 occ:1.00 OD1 A:ASP77 2.4 27.9 1.0 O A:ARG79 2.4 29.2 1.0 OD1 A:ASP73 2.4 31.5 1.0 OE1 A:GLU84 2.5 26.8 1.0 O A:HOH379 2.7 40.6 1.0 OD1 A:ASN75 2.7 46.1 1.0 OE2 A:GLU84 2.8 32.0 1.0 CD A:GLU84 3.0 38.9 1.0 CG A:ASP77 3.2 53.0 1.0 CG A:ASP73 3.5 40.3 1.0 C A:ARG79 3.6 35.3 1.0 OD2 A:ASP77 3.7 47.9 1.0 CG A:ASN75 3.8 40.5 1.0 N A:ARG79 4.1 38.6 1.0 CA A:ASP73 4.1 30.2 1.0 CB A:ASP77 4.2 38.2 1.0 N A:ASP77 4.3 38.6 1.0 OD2 A:ASP73 4.3 35.6 1.0 CB A:ASP73 4.3 36.3 1.0 ND2 A:ASN75 4.3 42.1 1.0 CA A:ARG79 4.4 32.3 1.0 C A:ASP73 4.4 38.0 1.0 CA A:ILE80 4.5 30.6 1.0 N A:ASN75 4.5 33.1 1.0 N A:ILE80 4.5 31.6 1.0 CG A:GLU84 4.5 28.8 1.0 CA A:ASP77 4.6 37.5 1.0 N A:GLU74 4.6 33.2 1.0 N A:GLU81 4.7 24.7 1.0 N A:GLY78 4.7 32.6 1.0 OE1 A:GLU81 4.8 51.4 1.0 N A:LYS76 4.8 35.8 1.0 C A:ASP77 4.9 45.5 1.0 CB A:ARG79 4.9 36.7 1.0 CB A:ASN75 4.9 33.3 1.0 CG A:GLU81 4.9 36.3 1.0

Calcium binding site 2 out of 12 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca207 b:22.3 occ:1.00 OD1 A:ASP111 2.4 25.6 1.0 OD1 A:ASP109 2.4 20.6 1.0 O A:TYR115 2.4 23.0 1.0 OD1 A:ASP113 2.5 24.8 1.0 O A:HOH370 2.5 29.1 1.0 OE1 A:GLU120 2.7 27.1 1.0 OE2 A:GLU120 2.7 31.6 1.0 CD A:GLU120 3.0 31.0 1.0 CG A:ASP113 3.3 32.8 1.0 CG A:ASP111 3.4 38.2 1.0 CG A:ASP109 3.5 23.7 1.0 C A:TYR115 3.6 26.5 1.0 OD2 A:ASP113 3.8 31.0 1.0 OD2 A:ASP111 3.9 33.4 1.0 N A:ASP113 4.1 23.8 1.0 N A:TYR115 4.1 20.8 1.0 N A:ASP111 4.2 24.8 1.0 CA A:ASP109 4.2 21.3 1.0 OD2 A:ASP109 4.2 21.4 1.0 C A:ASP109 4.3 23.5 1.0 CB A:ASP109 4.3 24.7 1.0 CA A:TYR115 4.4 20.5 1.0 N A:LEU110 4.4 27.0 1.0 CB A:ASP113 4.4 27.1 1.0 CG A:GLU120 4.4 29.0 1.0 CA A:ILE116 4.5 20.7 1.0 N A:ILE116 4.5 22.2 1.0 N A:ASN112 4.5 22.9 1.0 CB A:TYR115 4.5 25.2 1.0 CB A:ASP111 4.6 26.9 1.0 CA A:ASP111 4.7 25.8 1.0 CA A:ASP113 4.7 26.4 1.0 N A:THR117 4.7 26.2 1.0 C A:ASP111 4.7 30.5 1.0 N A:GLY114 4.8 24.7 1.0 CG2 A:THR117 5.0 29.5 1.0 O A:ASP109 5.0 27.1 1.0

Calcium binding site 3 out of 12 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca208 b:25.2 occ:1.00 OD1 A:ASP161 2.5 28.4 1.0 OD1 A:ASP157 2.5 29.5 1.0 OE2 A:GLU168 2.5 20.4 1.0 O A:LYS163 2.5 30.2 1.0 OE1 A:GLU168 2.5 26.3 1.0 OD1 A:ASN159 2.6 32.4 1.0 O A:HOH371 2.7 39.0 1.0 CD A:GLU168 2.9 21.2 1.0 CG A:ASP161 3.3 42.2 1.0 C A:LYS163 3.6 22.5 1.0 CG A:ASN159 3.6 37.0 1.0 CG A:ASP157 3.6 32.7 1.0 OD2 A:ASP161 3.7 36.8 1.0 ND2 A:ASN159 4.2 33.4 1.0 N A:LYS163 4.2 31.2 1.0 N A:ASP161 4.2 31.1 1.0 N A:ASN159 4.3 32.9 1.0 CG A:GLU168 4.4 26.5 1.0 CA A:LYS163 4.4 24.3 1.0 OD2 A:ASP157 4.4 30.9 1.0 CA A:ASP157 4.4 26.5 1.0 CA A:LEU164 4.4 21.7 1.0 CB A:ASP161 4.5 29.8 1.0 N A:LEU164 4.5 24.4 1.0 CB A:ASP157 4.6 26.8 1.0 N A:LYS158 4.6 31.2 1.0 O A:HOH319 4.6 43.7 1.0 C A:ASP157 4.6 38.5 1.0 CB A:LYS163 4.6 24.1 1.0 N A:ALA160 4.7 32.7 1.0 CA A:ASP161 4.8 25.6 1.0 CB A:ASN159 4.8 32.3 1.0 N A:THR165 4.8 20.3 1.0 CA A:ASN159 4.8 33.3 1.0 C A:ASN159 4.9 39.0 1.0 N A:GLY162 5.0 27.7 1.0

Calcium binding site 4 out of 12 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca203 b:30.8 occ:1.00 OD1 C:ASP72 2.4 28.1 1.0 OD1 C:ASP68 2.4 30.7 1.0 O C:ARG74 2.4 31.4 1.0 OE1 C:GLU79 2.5 27.9 1.0 O C:HOH391 2.7 41.4 1.0 OD1 C:ASN70 2.8 46.3 1.0 OE2 C:GLU79 2.8 32.2 1.0 CD C:GLU79 3.0 38.5 1.0 CG C:ASP72 3.2 53.2 1.0 CG C:ASP68 3.4 40.3 1.0 C C:ARG74 3.6 36.1 1.0 OD2 C:ASP72 3.7 47.5 1.0 CG C:ASN70 3.8 40.5 1.0 N C:ARG74 4.1 37.5 1.0 CA C:ASP68 4.1 30.4 1.0 OD2 C:ASP68 4.2 34.1 1.0 CB C:ASP72 4.2 39.0 1.0 CB C:ASP68 4.2 37.4 1.0 N C:ASP72 4.2 39.0 1.0 ND2 C:ASN70 4.4 43.5 1.0 CA C:ARG74 4.4 33.2 1.0 CA C:ILE75 4.5 29.5 1.0 C C:ASP68 4.5 37.6 1.0 N C:ILE75 4.5 31.4 1.0 CG C:GLU79 4.5 28.4 1.0 N C:ASN70 4.5 33.6 1.0 CA C:ASP72 4.6 37.0 1.0 N C:GLU76 4.6 23.9 1.0 N C:GLU69 4.6 36.0 1.0 N C:GLY73 4.7 32.2 1.0 N C:LYS71 4.8 36.3 1.0 OE1 C:GLU76 4.8 50.3 1.0 C C:ASP72 4.8 44.1 1.0 CB C:ARG74 4.9 36.4 1.0 CB C:ASN70 5.0 33.5 1.0 CG C:GLU76 5.0 35.4 1.0

Calcium binding site 5 out of 12 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca204 b:22.0 occ:1.00 OD1 C:ASP104 2.4 20.6 1.0 OD1 C:ASP106 2.4 26.5 1.0 O C:TYR110 2.4 22.4 1.0 OD1 C:ASP108 2.4 24.8 1.0 O C:HOH380 2.5 29.1 1.0 OE1 C:GLU115 2.6 28.0 1.0 OE2 C:GLU115 2.7 29.9 1.0 CD C:GLU115 3.0 31.9 1.0 CG C:ASP108 3.3 33.9 1.0 CG C:ASP106 3.4 36.9 1.0 CG C:ASP104 3.4 24.8 1.0 C C:TYR110 3.6 25.7 1.0 OD2 C:ASP108 3.8 32.4 1.0 OD2 C:ASP106 3.9 32.6 1.0 N C:TYR110 4.1 20.6 1.0 N C:ASP108 4.2 25.0 1.0 CA C:ASP104 4.2 20.3 1.0 N C:ASP106 4.2 24.4 1.0 OD2 C:ASP104 4.2 21.0 1.0 CB C:ASP104 4.3 24.1 1.0 CA C:TYR110 4.3 20.5 1.0 C C:ASP104 4.3 20.7 1.0 N C:LEU105 4.4 28.4 1.0 CB C:ASP108 4.4 28.3 1.0 CG C:GLU115 4.4 28.1 1.0 CA C:ILE111 4.5 19.8 1.0 N C:ILE111 4.5 20.3 1.0 CB C:TYR110 4.5 23.3 1.0 CB C:ASP106 4.6 27.1 1.0 N C:ASN107 4.6 22.1 1.0 CA C:ASP106 4.7 24.5 1.0 CA C:ASP108 4.7 22.6 1.0 N C:THR112 4.7 26.3 1.0 C C:ASP106 4.8 29.7 1.0 N C:GLY109 4.9 23.6 1.0 CG2 C:THR112 4.9 30.1 1.0 O C:ASP104 5.0 27.2 1.0

Calcium binding site 6 out of 12 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca205 b:24.9 occ:1.00 OE2 C:GLU161 2.5 21.3 1.0 O C:LYS156 2.5 27.9 1.0 OD1 C:ASP150 2.5 29.5 1.0 OE1 C:GLU161 2.5 26.8 1.0 OD1 C:ASP154 2.5 28.9 1.0 OD1 C:ASN152 2.6 32.6 1.0 O C:HOH381 2.7 36.2 1.0 CD C:GLU161 2.8 23.0 1.0 CG C:ASP154 3.3 41.8 1.0 C C:LYS156 3.6 23.4 1.0 CG C:ASN152 3.6 36.6 1.0 CG C:ASP150 3.6 32.0 1.0 OD2 C:ASP154 3.7 37.8 1.0 ND2 C:ASN152 4.1 32.9 1.0 N C:ASP154 4.3 29.5 1.0 N C:LYS156 4.3 29.6 1.0 N C:ASN152 4.3 33.3 1.0 CG C:GLU161 4.3 24.1 1.0 CA C:LYS156 4.4 23.2 1.0 OD2 C:ASP150 4.4 32.1 1.0 CA C:ASP150 4.4 25.6 1.0 CA C:LEU157 4.4 22.2 1.0 N C:LEU157 4.5 24.4 1.0 CB C:ASP154 4.5 32.2 1.0 CB C:ASP150 4.6 25.8 1.0 N C:LYS151 4.6 30.2 1.0 O C:HOH326 4.6 41.9 1.0 CB C:LYS156 4.6 25.9 1.0 C C:ASP150 4.6 37.7 1.0 CB C:ASN152 4.8 34.1 1.0 N C:ALA153 4.8 32.7 1.0 CA C:ASP154 4.8 27.0 1.0 N C:THR158 4.8 18.3 1.0 CA C:ASN152 4.8 34.0 1.0 C C:ASN152 4.9 40.5 1.0 CD2 C:LEU157 5.0 23.5 1.0

Calcium binding site 7 out of 12 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:31.2 occ:1.00 OD1 B:ASP77 2.4 28.6 1.0 O B:ARG79 2.4 30.8 1.0 OD1 B:ASP73 2.5 33.5 1.0 OE1 B:GLU84 2.5 28.1 1.0 O B:HOH377 2.7 41.6 1.0 OD1 B:ASN75 2.7 46.6 1.0 OE2 B:GLU84 2.8 30.9 1.0 CD B:GLU84 3.0 39.5 1.0 CG B:ASP77 3.2 53.6 1.0 CG B:ASP73 3.5 40.4 1.0 C B:ARG79 3.6 36.0 1.0 OD2 B:ASP77 3.7 49.1 1.0 CG B:ASN75 3.8 40.5 1.0 CA B:ASP73 4.1 30.1 1.0 N B:ARG79 4.2 37.2 1.0 OD2 B:ASP73 4.2 35.7 1.0 CB B:ASP73 4.3 36.7 1.0 CB B:ASP77 4.3 38.1 1.0 N B:ASP77 4.3 38.0 1.0 ND2 B:ASN75 4.3 43.1 1.0 C B:ASP73 4.4 38.0 1.0 CA B:ARG79 4.4 32.4 1.0 CA B:ILE80 4.5 31.0 1.0 CG B:GLU84 4.5 30.9 1.0 N B:ASN75 4.5 33.4 1.0 N B:ILE80 4.5 31.8 1.0 N B:GLU74 4.6 33.7 1.0 N B:GLU81 4.6 26.9 1.0 CA B:ASP77 4.6 38.6 1.0 N B:GLY78 4.8 33.0 1.0 N B:LYS76 4.8 35.8 1.0 OE1 B:GLU81 4.9 52.8 1.0 CB B:ARG79 4.9 34.8 1.0 C B:ASP77 4.9 44.3 1.0 CB B:ASN75 4.9 34.0 1.0 O B:ASP73 5.0 36.7 1.0

Calcium binding site 8 out of 12 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:22.1 occ:1.00 OD1 B:ASP109 2.4 20.3 1.0 OD1 B:ASP113 2.4 24.8 1.0 OD1 B:ASP111 2.4 27.3 1.0 O B:TYR115 2.4 22.2 1.0 O B:HOH378 2.5 30.0 1.0 OE2 B:GLU120 2.7 32.7 1.0 OE1 B:GLU120 2.7 29.4 1.0 CD B:GLU120 3.0 33.2 1.0 CG B:ASP113 3.2 34.5 1.0 CG B:ASP111 3.4 38.2 1.0 CG B:ASP109 3.5 24.5 1.0 C B:TYR115 3.6 28.3 1.0 OD2 B:ASP113 3.7 31.2 1.0 OD2 B:ASP111 3.9 33.0 1.0 N B:TYR115 4.1 20.0 1.0 N B:ASP113 4.2 23.1 1.0 CA B:ASP109 4.2 19.1 1.0 N B:ASP111 4.2 23.2 1.0 OD2 B:ASP109 4.2 20.7 1.0 CB B:ASP109 4.3 24.4 1.0 CB B:ASP113 4.3 28.2 1.0 C B:ASP109 4.3 22.6 1.0 CA B:TYR115 4.4 19.4 1.0 N B:LEU110 4.4 28.6 1.0 CG B:GLU120 4.4 29.4 1.0 CA B:ILE116 4.5 20.1 1.0 N B:ILE116 4.5 21.3 1.0 CB B:TYR115 4.5 23.8 1.0 N B:ASN112 4.5 22.5 1.0 CB B:ASP111 4.6 26.9 1.0 CA B:ASP113 4.7 23.2 1.0 N B:THR117 4.7 24.4 1.0 CA B:ASP111 4.7 24.9 1.0 C B:ASP111 4.8 30.2 1.0 N B:GLY114 4.8 24.6 1.0 CG2 B:THR117 4.9 26.5 1.0

Calcium binding site 9 out of 12 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca203 b:25.4 occ:1.00 OD1 B:ASP161 2.5 27.0 1.0 OE2 B:GLU168 2.5 21.8 1.0 O B:LYS163 2.5 29.5 1.0 OD1 B:ASP157 2.5 28.9 1.0 OE1 B:GLU168 2.5 25.4 1.0 OD1 B:ASN159 2.6 31.6 1.0 O B:HOH379 2.6 34.4 1.0 CD B:GLU168 2.8 22.6 1.0 CG B:ASP161 3.3 41.9 1.0 C B:LYS163 3.6 22.9 1.0 CG B:ASN159 3.6 37.0 1.0 CG B:ASP157 3.6 31.9 1.0 OD2 B:ASP161 3.7 36.2 1.0 ND2 B:ASN159 4.1 34.4 1.0 N B:LYS163 4.2 28.9 1.0 N B:ASP161 4.2 29.2 1.0 CA B:LYS163 4.3 21.9 1.0 CG B:GLU168 4.3 25.2 1.0 N B:ASN159 4.3 34.0 1.0 OD2 B:ASP157 4.4 31.6 1.0 CA B:ASP157 4.4 25.6 1.0 CA B:LEU164 4.4 21.5 1.0 N B:LEU164 4.5 26.4 1.0 CB B:ASP161 4.5 31.7 1.0 CB B:ASP157 4.6 26.5 1.0 N B:LYS158 4.6 31.5 1.0 CB B:LYS163 4.6 23.5 1.0 C B:ASP157 4.6 39.8 1.0 O B:HOH329 4.7 43.5 1.0 CA B:ASP161 4.7 26.3 1.0 CB B:ASN159 4.8 32.8 1.0 N B:ALA160 4.8 34.1 1.0 N B:THR165 4.8 22.5 1.0 CA B:ASN159 4.8 31.4 1.0 C B:ASN159 4.9 39.2 1.0 N B:GLY162 5.0 27.6 1.0 CD2 B:LEU164 5.0 23.1 1.0 C B:ASP161 5.0 27.3 1.0

Calcium binding site 10 out of 12 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca201 b:29.9 occ:1.00 OD1 D:ASP77 2.3 28.2 1.0 O D:ARG79 2.4 32.5 1.0 OD1 D:ASP73 2.5 32.5 1.0 OE1 D:GLU84 2.5 25.9 1.0 OD1 D:ASN75 2.7 44.9 1.0 O D:HOH379 2.7 44.0 1.0 OE2 D:GLU84 2.8 28.8 1.0 CD D:GLU84 3.0 37.8 1.0 CG D:ASP77 3.2 53.1 1.0 CG D:ASP73 3.5 40.7 1.0 C D:ARG79 3.6 35.8 1.0 OD2 D:ASP77 3.7 49.0 1.0 CG D:ASN75 3.8 41.6 1.0 N D:ARG79 4.1 38.0 1.0 CA D:ASP73 4.2 29.6 1.0 CB D:ASP77 4.3 39.7 1.0 ND2 D:ASN75 4.3 41.4 1.0 N D:ASP77 4.3 38.8 1.0 OD2 D:ASP73 4.3 35.6 1.0 CB D:ASP73 4.3 33.8 1.0 CA D:ARG79 4.4 34.0 1.0 CA D:ILE80 4.4 28.2 1.0 N D:ILE80 4.5 33.0 1.0 C D:ASP73 4.5 38.7 1.0 N D:ASN75 4.5 34.5 1.0 CG D:GLU84 4.5 29.1 1.0 CA D:ASP77 4.6 37.8 1.0 N D:GLU81 4.6 26.5 1.0 N D:GLU74 4.6 31.8 1.0 N D:GLY78 4.7 31.8 1.0 CB D:ARG79 4.8 35.4 1.0 N D:LYS76 4.8 36.4 1.0 OE1 D:GLU81 4.8 49.0 1.0 C D:ASP77 4.8 44.5 1.0 CB D:ASN75 5.0 33.8 1.0

F.Chengpeng, L.Elias. New Crystal Form Structure of Human NCS1 To Be Published.