Calcium in PDB 5b7i: CAS3-ACRF3 Complex

The structure of CAS3-ACRF3 Complex, PDB code: 5b7i was solved by X.Wang, Y.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	97.304, 127.197, 218.455, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 24.9

The binding sites of Calcium atom in the CAS3-ACRF3 Complex (pdb code 5b7i). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the CAS3-ACRF3 Complex, PDB code: 5b7i:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the CAS3-ACRF3 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of CAS3-ACRF3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1101 b:49.5 occ:1.00 NE2 A:HIS221 2.4 41.4 1.0 NE2 A:HIS220 2.5 31.4 1.0 OD1 A:ASP124 2.6 38.3 1.0 NE2 A:HIS149 2.6 42.3 1.0 O A:HOH1273 2.7 29.2 1.0 CD2 A:HIS221 3.2 38.9 1.0 CA A:CA1102 3.3 77.9 1.0 CD2 A:HIS220 3.3 31.6 1.0 CG A:ASP124 3.3 35.9 1.0 CE1 A:HIS221 3.4 41.0 1.0 OD2 A:ASP124 3.4 34.2 1.0 CE1 A:HIS149 3.5 42.4 1.0 CE1 A:HIS220 3.6 30.9 1.0 CD2 A:HIS149 3.7 42.8 1.0 OD2 A:ASP315 3.9 36.5 1.0 NZ A:LYS127 4.0 34.4 1.0 CE A:LYS127 4.0 35.9 1.0 CD2 A:HIS123 4.2 33.9 1.0 CG A:HIS221 4.4 38.9 1.0 ND1 A:HIS221 4.4 39.6 1.0 CG A:HIS220 4.6 31.5 1.0 NE2 A:HIS123 4.6 33.1 1.0 ND1 A:HIS149 4.7 44.0 1.0 ND1 A:HIS220 4.7 30.6 1.0 CB A:ASP124 4.7 35.1 1.0 CG A:HIS149 4.8 42.8 1.0 CG A:ASP315 4.9 35.8 1.0 OD1 A:ASP315 5.0 36.8 1.0

Calcium binding site 2 out of 2 in the CAS3-ACRF3 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of CAS3-ACRF3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1102 b:77.9 occ:1.00 OD2 A:ASP124 2.1 34.2 1.0 NE2 A:HIS352 2.5 32.8 1.0 OD1 A:ASP315 2.5 36.8 1.0 O A:HOH1273 2.5 29.2 1.0 NE2 A:HIS123 2.8 33.1 1.0 OD2 A:ASP315 3.1 36.5 1.0 CG A:ASP124 3.1 35.9 1.0 CG A:ASP315 3.2 35.8 1.0 CA A:CA1101 3.3 49.5 1.0 CE1 A:HIS352 3.3 32.1 1.0 CD2 A:HIS123 3.5 33.9 1.0 CD2 A:HIS352 3.5 31.8 1.0 OD1 A:ASP124 3.5 38.3 1.0 NZ A:LYS127 3.6 34.4 1.0 CE1 A:HIS123 3.9 34.1 1.0 OG A:SER319 4.2 44.0 1.0 CB A:ASP124 4.4 35.1 1.0 ND1 A:HIS352 4.5 32.4 1.0 CE A:LYS127 4.5 35.9 1.0 CG A:HIS352 4.6 33.4 1.0 CB A:ASP315 4.7 35.1 1.0 CG A:HIS123 4.7 34.0 1.0 NE2 A:HIS220 4.8 31.4 1.0 ND1 A:HIS123 4.9 34.7 1.0

X.Wang, D.Yao, J.G.Xu, A.R.Li, J.Xu, P.Fu, Y.Zhou, Y.Zhu. Structural Basis of CAS3 Inhibition By the Bacteriophage Protein ACRF3 Nat.Struct.Mol.Biol. V. 23 868 2016.
ISSN: ESSN 1545-9985
PubMed: 27455460
DOI: 10.1038/NSMB.3269