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Calcium in PDB 2xn6: Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein

Protein crystallography data

The structure of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein, PDB code: 2xn6 was solved by X.Qi, Y.Yan, Z.Wei, A.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 86.34 / 1.29
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 172.690, 42.140, 56.100, 90.00, 90.00, 90.00
R / Rfree (%) 20.725 / 23.453

Other elements in 2xn6:

The structure of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein also contains other interesting chemical elements:

Iodine (I) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein (pdb code 2xn6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein, PDB code: 2xn6:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 2xn6

Go back to Calcium Binding Sites List in 2xn6
Calcium binding site 1 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1356

b:38.8
occ:1.00
 O A:HOH2033 2.4 33.1 1.0
ND1 A:HIS185 2.8 12.9 1.0
CB A:GLN109 3.5 15.8 1.0
CG A:GLN109 3.5 18.7 1.0
N A:GLN109 3.6 13.6 1.0
CG A:HIS185 3.6 11.2 1.0
CB A:HIS185 3.7 10.6 1.0
O A:HIS185 3.7 9.8 1.0
CE1 A:HIS185 3.8 12.9 1.0
CE A:LYS162 4.1 22.3 1.0
CA A:GLN109 4.1 14.3 1.0
C A:LEU108 4.2 13.8 1.0
C A:HIS185 4.2 9.4 1.0
N A:LEU108 4.2 13.9 1.0
CB A:GLU107 4.3 17.3 1.0
C A:GLU107 4.4 14.8 1.0
CA A:LEU108 4.5 13.5 1.0
CA A:HIS185 4.5 9.4 1.0
O A:HOH2084 4.7 24.9 1.0
OE1 A:GLU107 4.8 23.6 1.0
CG A:LYS162 4.8 17.9 1.0
CA A:GLU107 4.8 16.9 1.0
O A:GLU107 4.8 12.7 1.0
CD2 A:HIS185 4.8 12.3 1.0
NE2 A:HIS185 4.9 12.2 1.0
O A:LEU108 4.9 14.4 1.0
O A:GLN109 5.0 13.2 1.0

Calcium binding site 2 out of 7 in 2xn6

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Calcium binding site 2 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1359

b:19.3
occ:0.60
 OD1 A:ASP222 3.2 17.6 0.5
CG A:ASP222 3.7 16.0 0.5
OD2 A:ASP222 3.7 17.7 0.5
OD2 A:ASP222 4.0 18.0 0.5
O A:HOH2184 4.1 17.3 1.0
O A:MET221 4.5 16.7 1.0
CG A:ASP222 4.6 15.5 0.5
CZ3 A:TRP280 4.8 16.7 1.0
CB A:ASP222 4.9 15.2 0.5
OD1 A:ASP222 5.0 19.4 0.5

Calcium binding site 3 out of 7 in 2xn6

Go back to Calcium Binding Sites List in 2xn6
Calcium binding site 3 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1362

b:28.6
occ:1.00
 O A:HOH2116 2.8 27.6 1.0
O A:HOH2096 3.0 8.8 1.0
N A:PHE143 3.3 19.5 1.0
N A:LYS118 3.7 17.4 1.0
O A:THR141 3.8 19.2 1.0
CB A:PHE143 3.8 18.9 1.0
CA A:GLY117 3.9 16.6 1.0
CA A:PHE143 4.0 19.6 1.0
CG A:LYS118 4.0 20.5 1.0
CD2 A:HIS119 4.1 18.8 1.0
N A:SER144 4.2 21.0 1.0
C A:GLY117 4.2 16.9 1.0
C A:ASP142 4.3 19.8 1.0
C A:PHE143 4.3 20.6 1.0
CA A:ASP142 4.3 20.2 1.0
OD1 A:ASP142 4.4 23.0 1.0
CD2 A:PHE143 4.4 16.9 1.0
N A:HIS119 4.6 17.4 1.0
CG A:PHE143 4.6 17.9 1.0
CA A:LYS118 4.7 18.1 1.0
CD A:LYS118 4.7 22.7 1.0
C A:THR141 4.8 19.0 1.0
CB A:LYS118 4.8 19.3 1.0
NE2 A:HIS119 4.8 19.9 1.0
CG A:HIS119 5.0 17.7 1.0

Calcium binding site 4 out of 7 in 2xn6

Go back to Calcium Binding Sites List in 2xn6
Calcium binding site 4 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1365

b:86.9
occ:1.00
 O A:GLU320 3.6 22.8 1.0
C A:ASP321 3.6 20.6 1.0
O A:ASP321 3.7 20.8 1.0
CA A:ASP321 3.9 21.9 1.0
CB A:ASN322 4.0 18.8 1.0
N A:ASN322 4.0 19.6 1.0
O A:HOH2258 4.1 14.7 1.0
C A:GLU320 4.5 21.7 1.0
N A:ASP321 4.6 21.3 1.0
CA A:ASN322 4.6 18.8 1.0

Calcium binding site 5 out of 7 in 2xn6

Go back to Calcium Binding Sites List in 2xn6
Calcium binding site 5 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1366

b:67.2
occ:1.00
 OE2 A:GLU320 3.8 29.1 1.0
N A:ALA124 3.8 24.6 1.0
O A:PRO122 4.0 21.1 1.0
CD2 A:LEU123 4.1 24.4 1.0
CA A:LEU123 4.1 22.2 1.0
CG A:GLU320 4.4 24.1 1.0
C A:LEU123 4.5 22.8 1.0
CD A:GLU320 4.5 25.6 1.0
CB A:ALA124 4.6 26.5 1.0
CA A:ALA124 4.8 25.7 1.0
CB A:LEU123 4.8 22.3 1.0
C A:PRO122 4.9 20.8 1.0
N A:LEU123 4.9 21.0 1.0

Calcium binding site 6 out of 7 in 2xn6

Go back to Calcium Binding Sites List in 2xn6
Calcium binding site 6 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1367

b:60.0
occ:1.00
 CE1 A:PHE139 3.9 20.4 1.0
OE2 A:GLU152 4.0 24.3 1.0
CD1 A:PHE139 4.1 19.8 1.0
O A:HOH2125 4.3 18.2 1.0
CZ A:PHE139 4.5 19.9 1.0
CG A:GLU152 4.8 19.4 1.0
CG A:PHE139 4.8 18.2 1.0
CD A:GLU152 4.8 22.2 1.0

Calcium binding site 7 out of 7 in 2xn6

Go back to Calcium Binding Sites List in 2xn6
Calcium binding site 7 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1368

b:73.7
occ:1.00
 CB A:SER204 4.2 18.7 1.0
CG2 A:THR212 4.4 20.5 1.0
OD2 B:ASP368 4.5 20.2 1.0
O A:SER204 4.6 16.6 1.0
CB A:LEU206 4.7 16.2 1.0
C A:SER204 4.8 16.3 1.0
O B:ASP368 4.8 13.1 1.0
N A:LEU206 4.8 14.6 1.0
CD1 A:LEU206 4.9 18.1 1.0
CG B:ASP368 4.9 15.5 1.0

Reference:

X.Qi, F.Loiseau, W.L.Chan, Y.Yan, Z.Wei, L.G.Milroy, R.M.Myers, S.V.Ley, R.J.Read, R.W.Carrell, A.Zhou. Allosteric Modulation of Hormone Release From Thyroxine and Corticosteroid Binding-Globulins. J.Biol.Chem. V. 286 16163 2011.
ISSN: ISSN 0021-9258
PubMed: 21325280
DOI: 10.1074/JBC.M110.171082
Page generated: Fri Jul 12 19:10:41 2024

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