Calcium in PDB 3ey7: Structure From the Mobile Metagenome of V. Cholerae. Integron Cassette Protein VCH_CASS1

The structure of Structure From the Mobile Metagenome of V. Cholerae. Integron Cassette Protein VCH_CASS1, PDB code: 3ey7 was solved by S.J.Harrop, C.N.Deshpande, V.Sureshan, Y.Boucher, X.Xu, H.Cui, C.Chang, A.Edwards, A.Joachimiak, A.Savchenko, P.M.G.Curmi, B.C.Mabbutt, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.75 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.029, 67.868, 91.240, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.6

The binding sites of Calcium atom in the Structure From the Mobile Metagenome of V. Cholerae. Integron Cassette Protein VCH_CASS1 (pdb code 3ey7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure From the Mobile Metagenome of V. Cholerae. Integron Cassette Protein VCH_CASS1, PDB code: 3ey7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure From the Mobile Metagenome of V. Cholerae. Integron Cassette Protein VCH_CASS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure From the Mobile Metagenome of V. Cholerae. Integron Cassette Protein VCH_CASS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca133 b:24.1 occ:1.00 OE1 A:GLU125 2.4 15.4 1.0 O A:HOH348 2.4 22.8 1.0 O B:HOH301 2.6 32.6 1.0 NE2 B:HIS12 2.6 17.4 1.0 O A:HOH347 2.6 24.6 1.0 O A:HOH349 2.7 22.2 1.0 O A:HOH337 2.7 30.5 1.0 CD A:GLU125 3.5 12.7 1.0 CE1 B:HIS12 3.6 16.7 1.0 CD2 B:HIS12 3.6 13.5 1.0 OE2 A:GLU125 3.9 18.3 1.0 O B:HOH243 4.1 31.0 1.0 OD1 B:ASN53 4.4 22.1 1.0 OH A:TYR115 4.4 19.3 1.0 O A:HOH244 4.5 29.9 1.0 O B:HOH217 4.6 31.3 1.0 OD1 A:ASP74 4.6 18.4 1.0 O A:HOH188 4.6 18.6 1.0 CB A:CYS76 4.6 12.1 1.0 O A:HOH225 4.7 33.2 1.0 CE2 A:TYR115 4.7 18.6 1.0 ND1 B:HIS12 4.7 15.9 1.0 CG A:GLU125 4.8 13.4 1.0 CG B:HIS12 4.8 13.7 1.0 CG2 B:VAL14 4.8 16.2 1.0 CB A:GLU125 4.9 12.4 1.0

Calcium binding site 2 out of 2 in the Structure From the Mobile Metagenome of V. Cholerae. Integron Cassette Protein VCH_CASS1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure From the Mobile Metagenome of V. Cholerae. Integron Cassette Protein VCH_CASS1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca133 b:17.2 occ:1.00 OE1 B:GLU125 2.4 13.0 1.0 O B:HOH337 2.5 20.7 1.0 O A:HOH336 2.6 24.5 1.0 O B:HOH339 2.6 20.6 1.0 O B:HOH338 2.7 22.9 1.0 O B:HOH340 2.7 20.2 1.0 NE2 A:HIS12 2.7 14.3 1.0 CD B:GLU125 3.4 13.3 1.0 CD2 A:HIS12 3.6 12.5 1.0 CE1 A:HIS12 3.7 13.7 1.0 OE2 B:GLU125 3.8 12.8 1.0 O A:HOH161 4.3 22.7 1.0 OH B:TYR115 4.3 17.7 1.0 O B:HOH170 4.5 18.2 1.0 CB B:CYS76 4.5 10.6 1.0 ND2 A:ASN53 4.6 12.8 1.0 O B:HOH329 4.7 35.7 1.0 O A:HOH219 4.7 31.7 1.0 CG B:GLU125 4.7 13.0 1.0 OD1 B:ASP74 4.7 14.9 1.0 ND1 A:HIS12 4.8 11.8 1.0 CG A:HIS12 4.8 10.1 1.0 CE1 B:TYR115 4.8 11.5 1.0 CB B:GLU125 4.8 10.2 1.0 O B:HOH149 4.9 15.3 1.0 O B:HOH136 4.9 11.7 1.0 CG2 A:VAL14 4.9 14.0 1.0 O B:HOH155 4.9 22.3 1.0

S.J.Harrop, C.N.Deshpande, V.Sureshan, Y.Boucher, X.Xu, H.Cui, C.Chang, A.Edwards, A.Joachimiak, A.Savchenko, P.M.G.Curmi, B.C.Mabbutt. Structure From the Mobile Metagenome of V. Cholerae. Integron Cassette Protein VCH_CASS1 To Be Published.