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Iodine in PDB 5msq: Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide

Enzymatic activity of Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide

All present enzymatic activity of Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide:
1.2.1.30;

Protein crystallography data

The structure of Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide, PDB code: 5msq was solved by M.S.Dunstan, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.76 / 1.74
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 52.420, 102.610, 66.390, 90.00, 97.88, 90.00
R / Rfree (%) 17.6 / 20.8

Iodine Binding Sites:

The binding sites of Iodine atom in the Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide (pdb code 5msq). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide, PDB code: 5msq:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in 5msq

Go back to Iodine Binding Sites List in 5msq
Iodine binding site 1 out of 5 in the Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1202

b:17.2
occ:0.58
 O A:HOH1926 2.8 41.6 1.0
O A:HOH1782 3.1 28.6 1.0
OG A:SER299 3.4 16.0 1.0
O A:HOH1864 3.6 25.3 1.0
NE2 A:GLN146 3.8 31.7 1.0
CG A:PRO297 3.8 21.1 1.0
CA A:GLY613 4.1 19.7 1.0
CB A:HIS300 4.1 15.6 1.0
CG A:GLN146 4.2 22.2 1.0
N A:GLY613 4.2 19.4 1.0
CB A:SER299 4.4 15.2 1.0
O A:SER299 4.4 16.7 1.0
O A:HOH1825 4.4 36.5 1.0
C A:SER299 4.4 14.4 1.0
O A:HOH1520 4.5 19.8 1.0
C A:GLY613 4.5 17.9 1.0
CD A:GLN146 4.5 28.0 1.0
CD2 A:HIS300 4.5 24.4 1.0
N A:HIS300 4.5 14.6 1.0
N A:ILE614 4.6 16.8 1.0
CB A:GLN146 4.6 18.1 1.0
CG2 A:ILE614 4.7 20.3 1.0
CG A:HIS300 4.7 18.7 1.0
CA A:HIS300 4.7 15.7 1.0
CB A:PRO297 4.7 15.3 1.0
CD A:PRO297 5.0 16.3 1.0
CA A:SER299 5.0 11.8 1.0
O A:HOH1673 5.0 20.0 1.0

Iodine binding site 2 out of 5 in 5msq

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Iodine binding site 2 out of 5 in the Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1203

b:23.8
occ:0.59
 N A:ASN279 3.4 32.5 1.0
O A:HOH1371 3.4 28.4 1.0
N A:SER280 3.7 31.2 1.0
O A:HOH1647 3.7 35.9 1.0
CG2 A:THR469 3.8 21.5 1.0
CA A:GLY278 4.1 29.2 1.0
CB A:SER280 4.1 30.1 1.0
CB A:PRO437 4.2 17.0 1.0
CA A:ASN279 4.3 31.4 1.0
C A:GLY278 4.3 37.8 1.0
OG A:SER280 4.3 29.4 1.0
OE1 A:GLN283 4.3 23.4 1.0
CB A:ASN279 4.4 26.8 1.0
CG A:PRO437 4.4 14.3 1.0
C A:ASN279 4.4 32.3 1.0
CB A:THR274 4.5 19.7 1.0
CA A:SER280 4.5 31.0 1.0
CD A:PRO437 4.6 16.3 1.0
CD A:GLN283 4.6 26.3 1.0
ND2 A:ASN279 4.6 35.3 1.0
OG A:SER426 4.8 26.0 1.0
CG2 A:THR274 4.9 19.8 1.0
CB A:SER426 4.9 25.4 1.0
CG A:ASN279 4.9 35.0 1.0
NE2 A:GLN283 4.9 28.1 1.0
OG1 A:THR274 4.9 17.9 1.0
N A:PRO437 5.0 15.8 1.0
CB A:GLN283 5.0 31.3 1.0

Iodine binding site 3 out of 5 in 5msq

Go back to Iodine Binding Sites List in 5msq
Iodine binding site 3 out of 5 in the Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1204

b:24.9
occ:0.64
 CB A:HIS195 3.6 19.1 1.0
CD1 A:LEU68 3.7 38.5 1.0
CA A:HIS195 3.8 18.2 1.0
CB A:GLU197 4.0 26.6 1.0
N A:GLU197 4.0 19.7 1.0
C A:HIS195 4.0 15.5 1.0
CG A:GLU197 4.0 28.5 1.0
CD A:PRO196 4.1 22.9 1.0
N A:PRO196 4.1 17.6 1.0
CD2 A:LEU68 4.4 29.1 1.0
CE2 A:PHE66 4.4 28.4 1.0
CG A:HIS195 4.5 24.8 1.0
CD2 A:HIS195 4.5 29.3 1.0
CD A:GLU197 4.5 45.1 1.0
CG A:LEU68 4.5 32.3 1.0
CA A:GLU197 4.5 22.3 1.0
O A:HIS195 4.6 17.1 1.0
CZ A:PHE66 4.8 30.1 1.0
CG A:PRO196 4.9 23.6 1.0
OE1 A:GLU197 4.9 46.4 1.0

Iodine binding site 4 out of 5 in 5msq

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Iodine binding site 4 out of 5 in the Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1205

b:19.9
occ:0.59
 N A:GLU479 3.6 19.8 1.0
CB A:GLU479 3.7 25.7 1.0
CA A:ARG477 3.8 19.2 1.0
CG2 A:VAL480 3.8 30.1 1.0
N A:VAL480 3.8 21.4 1.0
CD A:PRO478 3.9 22.6 1.0
C A:ARG477 3.9 19.4 1.0
N A:PRO478 4.1 19.0 1.0
CB A:ARG477 4.1 22.2 1.0
CA A:GLU479 4.1 23.8 1.0
CG A:GLU479 4.2 25.9 1.0
O A:ARG477 4.4 18.2 1.0
C A:GLU479 4.5 21.8 1.0
CB A:VAL480 4.6 25.1 1.0
CG A:ARG477 4.7 25.5 1.0
C A:PRO478 4.7 21.8 1.0
CA A:VAL480 4.8 22.3 1.0
CD A:ARG477 4.9 30.5 1.0
CA A:PRO478 4.9 20.7 1.0
O A:LYS476 5.0 23.4 1.0

Iodine binding site 5 out of 5 in 5msq

Go back to Iodine Binding Sites List in 5msq
Iodine binding site 5 out of 5 in the Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of the A Domain of Carboxylic Acid Reductase (Car) From Nocardia Iowensis in Complex with Amp and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1206

b:25.0
occ:0.53
 O A:HOH1794 4.0 30.9 1.0
O A:ASP200 4.1 15.4 1.0
CG A:GLN201 4.2 15.7 1.0
C A:PRO170 4.2 15.5 1.0
N A:GLU171 4.2 15.4 1.0
C A:ASP200 4.2 18.0 1.0
CA A:GLU171 4.2 21.0 1.0
CB A:PRO170 4.2 18.4 1.0
O A:PRO170 4.2 14.6 1.0
CA A:GLN201 4.2 15.2 1.0
N A:GLN201 4.3 17.3 1.0
CB A:ASP200 4.4 19.3 1.0
CB A:ALA204 4.6 17.0 1.0
O A:HOH1585 4.7 27.3 1.0
CG A:GLU171 4.7 35.5 1.0
CB A:GLN201 4.8 18.2 1.0
CA A:PRO170 4.9 13.7 1.0
CB A:GLU171 4.9 19.4 1.0
CA A:ASP200 5.0 18.8 1.0

Reference:

D.Gahloth, M.S.Dunstan, D.Quaglia, E.Klumbys, M.P.Lockhart-Cairns, A.M.Hill, S.R.Derrington, N.S.Scrutton, N.J.Turner, D.Leys. Structure and Mechanism of Carboxylic Acid Reductase To Be Published.
Page generated: Sun Aug 11 21:31:40 2024

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