Calcium in PDB 4k3p: E. Coli Sliding Clamp in Complex with Acqlalf

All present enzymatic activity of E. Coli Sliding Clamp in Complex with Acqlalf:
2.7.7.7;

The structure of E. Coli Sliding Clamp in Complex with Acqlalf, PDB code: 4k3p was solved by Z.Yin, A.J.Oakley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.49 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.960, 66.680, 80.920, 90.00, 114.16, 90.00
R / Rfree (%)	22.3 / 27.3

The structure of E. Coli Sliding Clamp in Complex with Acqlalf also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the E. Coli Sliding Clamp in Complex with Acqlalf (pdb code 4k3p). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the E. Coli Sliding Clamp in Complex with Acqlalf, PDB code: 4k3p:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the E. Coli Sliding Clamp in Complex with Acqlalf


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of E. Coli Sliding Clamp in Complex with Acqlalf within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:64.2 occ:1.00 OG A:SER181 3.8 31.2 1.0 CB A:SER181 3.9 29.2 1.0 O A:SER356 4.1 31.2 1.0 O A:GLN355 4.2 36.8 1.0 N A:SER181 4.3 27.9 1.0 CG2 A:VAL179 4.3 21.6 1.0 CG1 A:VAL179 4.5 21.3 1.0 C A:SER356 4.6 31.9 1.0 O A:VAL179 4.7 23.1 1.0 C A:CYS180 4.8 26.8 1.0 CA A:SER181 4.8 29.6 1.0 CA A:CYS180 4.9 25.4 1.0 C A:VAL179 4.9 23.1 1.0

Calcium binding site 2 out of 5 in the E. Coli Sliding Clamp in Complex with Acqlalf


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of E. Coli Sliding Clamp in Complex with Acqlalf within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:67.7 occ:1.00 N A:ALA67 3.3 23.2 1.0 O A:ALA67 3.4 23.8 1.0 CA A:GLY66 3.8 23.9 1.0 C A:GLY66 4.1 23.4 1.0 C A:ALA67 4.2 24.4 1.0 CD2 A:LEU92 4.2 31.6 1.0 CA A:ALA67 4.3 23.7 1.0 O A:HOH533 4.8 23.9 1.0 CB A:ALA67 5.0 23.1 1.0

Calcium binding site 3 out of 5 in the E. Coli Sliding Clamp in Complex with Acqlalf


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of E. Coli Sliding Clamp in Complex with Acqlalf within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:68.3 occ:1.00 O A:GLY280 3.0 26.9 1.0 O A:HOH548 3.2 23.6 1.0 N A:ASN295 3.3 26.8 1.0 CA A:ALA294 3.6 24.9 1.0 C A:GLY280 3.7 26.8 1.0 O A:ASN295 3.8 32.6 1.0 C A:ALA294 3.9 25.1 1.0 OD1 A:ASN295 4.0 33.3 1.0 NH1 A:ARG282 4.1 27.3 0.4 CA A:VAL281 4.1 25.0 1.0 CG A:ASN295 4.3 32.6 1.0 N A:VAL281 4.3 25.6 1.0 O A:THR293 4.3 23.0 1.0 CG A:ARG282 4.4 31.4 0.6 CA A:ASN295 4.4 29.5 1.0 CB A:ALA294 4.4 24.7 1.0 C A:ASN295 4.5 32.1 1.0 ND2 A:ASN295 4.5 32.5 1.0 N A:ALA294 4.6 24.2 1.0 CA A:GLY280 4.6 28.1 1.0 N A:ARG282 4.6 26.1 1.0 C A:VAL281 4.6 26.1 1.0 CG A:ARG282 4.7 27.5 0.4 CZ A:ARG282 4.7 27.5 0.4 C A:THR293 4.8 24.4 1.0 CB A:ASN295 4.9 30.3 1.0

Calcium binding site 4 out of 5 in the E. Coli Sliding Clamp in Complex with Acqlalf


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of E. Coli Sliding Clamp in Complex with Acqlalf within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:51.1 occ:1.00 OE1 B:GLU303 4.3 29.1 1.0 CB B:GLU303 4.3 24.2 1.0 CB B:GLU301 4.5 27.1 1.0 CB A:ARG105 4.7 30.2 1.0 OE2 B:GLU301 4.8 33.6 1.0 O A:ARG105 4.8 26.5 1.0 CD B:GLU303 4.9 27.3 1.0 O B:GLU301 4.9 23.7 1.0

Calcium binding site 5 out of 5 in the E. Coli Sliding Clamp in Complex with Acqlalf


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of E. Coli Sliding Clamp in Complex with Acqlalf within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca406 b:43.6 occ:1.00 CG B:GLU84 3.7 44.4 1.0 CA B:GLY85 3.9 43.2 1.0 O B:GLU84 4.1 38.4 1.0 N B:GLY85 4.1 42.7 1.0 C B:GLU84 4.2 39.9 1.0 CD B:GLU84 4.4 46.4 1.0 OE2 B:GLU84 4.8 46.1 1.0 OE1 B:GLU84 4.9 46.8 1.0 CB B:GLU84 4.9 41.3 1.0

Z.Yin, M.J.Kelso, J.L.Beck, A.J.Oakley. Structural and Thermodynamic Dissection of Linear Motif Recognition By the E. Coli Sliding Clamp J.Med.Chem. V. 56 8665 2013.
ISSN: ISSN 0022-2623
PubMed: 24090409
DOI: 10.1021/JM401118F