Zinc in PDB 2pq3: N-Terminal Calmodulin Zn-Trapped Intermediate

The structure of N-Terminal Calmodulin Zn-Trapped Intermediate, PDB code: 2pq3 was solved by J.T.Warren, Q.Guo, W.J.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.00 / 1.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	35.211, 35.211, 143.294, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 19.2

The structure of N-Terminal Calmodulin Zn-Trapped Intermediate also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Zinc atom in the N-Terminal Calmodulin Zn-Trapped Intermediate (pdb code 2pq3). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the N-Terminal Calmodulin Zn-Trapped Intermediate, PDB code: 2pq3:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the N-Terminal Calmodulin Zn-Trapped Intermediate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of N-Terminal Calmodulin Zn-Trapped Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:16.8 occ:0.40 ZN A:ZN201 0.0 16.8 0.4 ZN A:ZN201 0.8 28.9 0.6 OE2 A:GLU67 1.8 27.4 1.0 OD2 A:ASP64 2.1 23.7 1.0 CD A:GLU67 2.8 25.3 1.0 CG A:ASP64 2.9 21.1 1.0 OD1 A:ASP64 3.0 21.3 1.0 CG A:GLU67 3.3 25.3 1.0 O A:HOH219 3.7 24.4 1.0 OE1 A:GLU67 3.9 29.8 1.0 O A:HOH239 4.1 42.9 1.0 CB A:ASP64 4.3 20.6 1.0 CB A:GLU67 4.4 21.5 1.0 O A:HOH308 4.8 54.3 1.0 O A:HOH238 4.8 37.4 1.0

Zinc binding site 2 out of 3 in the N-Terminal Calmodulin Zn-Trapped Intermediate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of N-Terminal Calmodulin Zn-Trapped Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:28.9 occ:0.60 ZN A:ZN201 0.0 28.9 0.6 ZN A:ZN201 0.8 16.8 0.4 OD2 A:ASP64 1.7 23.7 1.0 OE2 A:GLU67 2.6 27.4 1.0 CG A:ASP64 2.6 21.1 1.0 OD1 A:ASP64 2.9 21.3 1.0 CD A:GLU67 3.4 25.3 1.0 CG A:GLU67 3.7 25.3 1.0 CB A:ASP64 4.0 20.6 1.0 O A:HOH239 4.1 42.9 1.0 O A:HOH219 4.2 24.4 1.0 OE1 A:GLU67 4.6 29.8 1.0 CB A:GLU67 4.8 21.5 1.0

Zinc binding site 3 out of 3 in the N-Terminal Calmodulin Zn-Trapped Intermediate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of N-Terminal Calmodulin Zn-Trapped Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn202 b:18.1 occ:1.00 OD2 A:ASP24 1.9 20.0 1.0 O2 A:CAC200 2.0 17.6 1.0 OD2 A:ASP22 2.0 18.0 1.0 CG A:ASP22 2.7 18.5 1.0 OD1 A:ASP22 2.8 18.4 1.0 CG A:ASP24 2.8 19.1 1.0 OD1 A:ASP24 3.2 18.4 1.0 AS A:CAC200 3.2 18.7 1.0 O A:HOH206 3.4 11.0 1.0 O1 A:CAC200 3.5 17.2 1.0 O A:HOH215 3.8 29.9 1.0 OG1 A:THR26 4.0 17.8 0.5 O A:HOH228 4.0 35.0 1.0 CB A:ASP24 4.1 20.7 1.0 CB A:ASP22 4.1 21.4 1.0 C1 A:CAC200 4.4 19.2 1.0 O A:HOH203 4.5 18.1 1.0 C2 A:CAC200 4.6 20.9 1.0

J.T.Warren, Q.Guo, W.J.Tang. A 1.3-A Structure of Zinc-Bound N-Terminal Domain of Calmodulin Elucidates Potential Early Ion-Binding Step. J.Mol.Biol. V. 374 517 2007.
ISSN: ISSN 0022-2836
PubMed: 17942116
DOI: 10.1016/J.JMB.2007.09.048