Calcium in PDB 6bd0: I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex)

The structure of I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex), PDB code: 6bd0 was solved by C.Brown, K.Zhang, M.Laforet, T.A.Mcmurrough, G.B.Gloor, D.R.Edgell, M.Junop, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.10 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.880, 66.740, 159.830, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19

The binding sites of Calcium atom in the I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex) (pdb code 6bd0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex), PDB code: 6bd0:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:12.9 occ:1.00 OP1 C:DT15 2.3 11.0 1.0 OE2 A:GLU22 2.3 16.9 1.0 O A:HOH731 2.3 14.6 1.0 OP2 B:DA15 2.3 10.9 1.0 O A:GLY177 2.4 11.7 1.0 O A:HOH837 2.5 14.1 1.0 C A:GLY177 3.4 12.2 1.0 CD A:GLU22 3.5 16.4 1.0 O B:HOH141 3.6 15.7 1.0 P B:DA15 3.6 10.8 1.0 P C:DT15 3.7 10.9 1.0 O A:HOH502 3.8 7.2 1.0 CA A:GLY177 3.8 10.2 1.0 OE1 A:GLU22 4.0 21.5 1.0 O5' B:DA15 4.1 11.1 1.0 O A:HOH670 4.1 15.9 1.0 O3' C:DA14 4.3 11.7 1.0 C5' B:DA15 4.3 12.3 1.0 OP1 B:DA15 4.3 11.2 1.0 C5' C:DT15 4.3 9.9 1.0 O A:SER176 4.4 11.9 1.0 O A:HOH887 4.4 24.1 1.0 C4' C:DT15 4.5 11.2 1.0 O5' C:DT15 4.6 11.6 1.0 CG A:GLU22 4.6 13.1 1.0 N A:GLU178 4.6 10.0 1.0 OE1 A:GLU178 4.6 15.3 1.0 O3' B:DC14 4.7 11.2 1.0 OP2 C:DT15 4.8 11.8 1.0 N A:GLY177 5.0 9.8 1.0

Calcium binding site 2 out of 3 in the I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:11.3 occ:1.00 OP1 B:DC14 2.2 11.4 1.0 OP2 C:DA16 2.2 10.9 1.0 OE2 A:GLU178 2.3 12.1 1.0 O A:ALA21 2.3 12.0 1.0 O A:HOH633 2.4 11.7 1.0 O A:HOH848 2.4 16.0 1.0 CD A:GLU178 3.3 13.6 1.0 C A:ALA21 3.4 10.7 1.0 P C:DA16 3.5 10.8 1.0 P B:DC14 3.7 10.6 1.0 OE1 A:GLU178 3.7 15.3 1.0 O A:HOH502 3.8 7.2 1.0 CA A:ALA21 3.9 10.6 1.0 O C:HOH148 3.9 21.7 1.0 O5' C:DA16 4.0 10.8 1.0 OE1 A:GLN204 4.1 12.0 1.0 C5' C:DA16 4.2 12.4 1.0 OP1 C:DA16 4.3 12.1 1.0 NE2 A:GLN204 4.3 9.4 1.0 O3' B:DT13 4.3 10.8 1.0 O A:HOH638 4.4 18.9 1.0 OE1 A:GLU22 4.4 21.5 1.0 C5' B:DC14 4.4 11.3 1.0 O A:ASP20 4.5 11.7 1.0 OP2 B:DC14 4.5 9.8 1.0 N A:GLU22 4.6 10.8 1.0 O5' B:DC14 4.6 10.8 1.0 CD A:GLN204 4.6 9.2 1.0 CG A:GLU178 4.6 10.7 1.0 O3' C:DT15 4.6 12.1 1.0 C4' B:DC14 4.7 11.4 1.0 CB A:ALA21 4.7 10.3 1.0 CA A:GLU22 5.0 11.2 1.0 C4' C:DA16 5.0 9.7 1.0

Calcium binding site 3 out of 3 in the I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:19.1 occ:1.00 O A:HOH743 2.3 25.6 1.0 O A:HOH811 2.3 18.6 1.0 O A:HOH724 2.4 14.6 1.0 O A:HOH805 2.4 20.9 1.0 OD2 A:ASP268 2.5 14.8 1.0 OD1 A:ASP268 2.5 12.3 1.0 CG A:ASP268 2.8 15.2 1.0 O A:HOH593 3.8 15.3 1.0 O A:HOH504 3.8 26.5 1.0 O A:HOH699 4.1 25.5 1.0 NH1 A:ARG301 4.2 15.1 1.0 CB A:ASP268 4.3 11.1 1.0 NZ A:LYS271 4.3 22.7 1.0 NH2 A:ARG301 4.7 13.2 1.0 O A:HOH925 4.7 22.7 1.0 CE A:LYS271 4.8 20.2 1.0 CZ A:ARG301 4.9 13.0 1.0 O A:ASN296 5.0 15.1 1.0

M.Laforet, T.A.Mcmurrough, C.Brown, K.Zhang, M.Junop, G.B.Gloor, D.R.Edgell. I-Onui K227Y, D236A Bound to Cognate Substrate (Pre-Cleavage Complex) To Be Published.