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Iodine in PDB 6de8: Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni

Enzymatic activity of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni

All present enzymatic activity of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni:
1.5.1.5; 3.5.4.9;

Protein crystallography data

The structure of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni, PDB code: 6de8 was solved by Y.Kim, M.Makowska-Grzyska, R.Zhang, S.N.Peterson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.77 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 164.887, 59.253, 73.240, 90.00, 100.44, 90.00
R / Rfree (%) 18.9 / 22.6

Other elements in 6de8:

The structure of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni also contains other interesting chemical elements:

Potassium (K) 1 atom
Chlorine (Cl) 1 atom

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni (pdb code 6de8). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 17 binding sites of Iodine where determined in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni, PDB code: 6de8:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 17 in 6de8

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Iodine binding site 1 out of 17 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:35.0
occ:1.00
 O A:HOH535 3.3 43.3 1.0
N A:ILE189 3.7 29.1 1.0
CB A:HIS188 4.0 27.0 1.0
CA A:HIS188 4.0 25.9 1.0
CA A:GLY164 4.1 25.9 1.0
C A:HIS188 4.2 28.5 1.0
CB A:ILE189 4.3 35.2 1.0
CA A:ILE189 4.5 32.7 1.0
CB A:ALA208 4.5 37.1 1.0
CG2 A:ILE189 4.5 34.4 1.0
N A:GLY164 4.7 29.2 1.0
CA A:ALA208 4.8 36.1 1.0
O A:ALA208 4.9 39.4 1.0
N A:ALA165 5.0 25.4 1.0

Iodine binding site 2 out of 17 in 6de8

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Iodine binding site 2 out of 17 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:42.3
occ:0.79
 O A:HOH523 3.3 33.6 1.0
CB A:PRO258 3.6 34.0 1.0
CA A:PRO258 3.9 32.5 1.0
N A:GLY259 4.0 32.1 1.0
CA A:GLY262 4.1 32.5 1.0
CD1 A:ILE230 4.2 40.7 1.0
CD A:PRO263 4.4 33.1 1.0
C A:PRO258 4.5 33.2 1.0
N A:GLY262 4.6 32.9 1.0
CG1 A:ILE230 4.7 37.7 1.0
C A:GLY262 4.9 31.6 1.0
I A:IOD307 4.9 66.5 0.9

Iodine binding site 3 out of 17 in 6de8

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Iodine binding site 3 out of 17 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:45.1
occ:0.58
 O A:HOH568 3.3 49.1 1.0
N A:ASN167 3.6 28.6 1.0
O A:HOH608 3.6 45.6 1.0
CG1 A:ILE168 3.9 37.9 1.0
CB A:ASN167 4.0 29.0 1.0
CB A:SER166 4.1 26.0 1.0
NZ A:LYS104 4.1 47.8 1.0
ND2 A:ASN167 4.2 34.4 1.0
N A:ILE168 4.3 27.1 1.0
CA A:ASN167 4.3 28.8 1.0
CG A:ASN167 4.4 31.3 1.0
CD1 A:ILE168 4.4 39.0 1.0
CA A:SER166 4.5 26.8 1.0
C A:SER166 4.5 26.6 1.0
CE A:LYS104 4.7 46.5 1.0
C A:ASN167 4.7 27.1 1.0
OG A:SER166 4.9 27.9 1.0

Iodine binding site 4 out of 17 in 6de8

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Iodine binding site 4 out of 17 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I304

b:48.8
occ:0.64
 O A:HOH599 3.3 25.5 1.0
N A:LEU98 3.4 28.9 1.0
O A:HOH623 3.4 41.9 1.0
O A:HOH453 3.6 32.0 1.0
CD A:LYS104 3.7 42.7 1.0
CA A:PRO97 3.8 32.5 1.0
CB A:PRO97 3.9 33.9 1.0
C A:PRO97 4.1 33.0 1.0
CB A:LYS104 4.2 31.9 1.0
O A:LEU98 4.2 28.9 1.0
CG A:LYS104 4.3 37.5 1.0
CB A:LEU98 4.3 30.0 1.0
CA A:LEU98 4.3 29.6 1.0
CD2 A:LEU96 4.5 28.1 1.0
CE A:LYS104 4.7 46.5 1.0
C A:LEU98 4.7 30.1 1.0
O A:HOH490 4.8 35.0 1.0
CB A:LEU96 4.9 29.2 1.0
CG A:LEU98 4.9 29.4 1.0

Iodine binding site 5 out of 17 in 6de8

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Iodine binding site 5 out of 17 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I305

b:77.3
occ:0.66
 CD A:LYS278 3.6 49.5 1.0
CE A:LYS278 3.7 53.6 1.0
CD A:LYS20 3.8 39.9 1.0
CB A:LYS20 3.9 31.4 1.0
CG A:LYS20 3.9 35.0 1.0
CG A:LYS278 4.0 45.1 1.0
CB A:LYS278 4.3 39.4 1.0
CG A:LEU24 4.4 29.7 1.0
CD1 A:LEU24 4.4 28.6 1.0
CA A:LYS20 4.6 32.2 1.0
CD2 A:LEU24 4.7 31.5 1.0
CG1 A:VAL274 4.7 27.9 1.0
O A:LYS20 4.7 36.7 1.0
NZ A:LYS20 4.8 44.6 1.0
CD2 A:PHE23 4.8 33.6 1.0
CE A:LYS20 4.9 42.4 1.0
C A:LYS20 5.0 33.4 1.0

Iodine binding site 6 out of 17 in 6de8

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Iodine binding site 6 out of 17 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I306

b:86.7
occ:0.62
 CD A:LYS20 4.0 39.9 1.0
N A:LYS275 4.1 29.7 1.0
CA A:LYS275 4.1 29.6 1.0
CE A:LYS20 4.1 42.4 1.0
O A:GLU271 4.1 27.8 1.0
CB A:LYS275 4.2 31.4 1.0
CG A:GLU271 4.4 39.9 1.0
C A:VAL274 4.5 31.2 1.0
CG1 A:VAL274 4.5 27.9 1.0
CB A:VAL274 4.7 27.7 1.0
NZ A:LYS20 4.7 44.6 1.0
O A:VAL274 4.8 33.3 1.0
CD2 A:LEU17 5.0 27.8 1.0

Iodine binding site 7 out of 17 in 6de8

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Iodine binding site 7 out of 17 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I307

b:66.5
occ:0.86
 O A:HOH594 3.3 50.3 1.0
O3 A:GOL310 3.7 73.2 1.0
CA A:GLY259 3.8 32.2 1.0
CD A:LYS7 3.9 45.7 1.0
O2 A:GOL310 4.0 75.1 1.0
N A:GLY259 4.0 32.1 1.0
CG A:PRO263 4.1 33.4 1.0
CD A:PRO263 4.2 33.1 1.0
CG A:LYS7 4.3 40.2 1.0
CB A:LYS7 4.3 35.4 1.0
CB A:PRO263 4.4 32.2 1.0
C3 A:GOL310 4.7 73.7 1.0
C2 A:GOL310 4.8 74.9 1.0
I A:IOD302 4.9 42.3 0.8
C A:GLY259 5.0 32.4 1.0
CE A:LYS7 5.0 50.0 1.0

Iodine binding site 8 out of 17 in 6de8

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Iodine binding site 8 out of 17 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I308

b:94.9
occ:0.70
 O A:HOH612 3.3 45.6 1.0
O A:HOH610 3.5 42.1 1.0
CD A:LYS146 4.1 36.3 1.0
CG A:LYS146 4.1 36.5 1.0
CE A:LYS146 4.2 34.8 1.0
O A:HOH565 4.2 52.1 1.0
CB A:LYS149 4.2 37.9 1.0
CA A:LYS146 4.3 31.5 1.0
CG A:LYS149 4.3 44.2 1.0
O A:MSE145 4.4 33.3 1.0
N A:LYS146 4.4 27.2 1.0
C A:MSE145 4.5 31.3 1.0
CB A:LYS146 4.8 34.6 1.0
CB A:MSE145 4.8 28.3 1.0
NZ A:LYS146 4.9 33.3 1.0

Iodine binding site 9 out of 17 in 6de8

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Iodine binding site 9 out of 17 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I309

b:60.9
occ:0.50
 CD A:LYS49 3.7 56.3 1.0
CG A:LYS49 3.8 50.1 1.0
CE A:LYS49 3.9 59.9 1.0
CG2 A:VAL64 4.1 31.9 1.0
OE1 A:GLN45 4.1 61.1 1.0
CG1 A:VAL64 4.2 29.3 1.0
CA A:LYS49 4.3 35.1 1.0
CG1 A:VAL48 4.3 29.1 1.0
CB A:VAL64 4.5 33.0 1.0
N A:LYS49 4.5 32.5 1.0
O A:HOH481 4.6 54.6 1.0
CB A:LYS49 4.6 43.0 1.0
CB A:ALA52 4.8 33.4 1.0
C A:VAL48 4.8 30.7 1.0
O A:VAL48 4.9 30.1 1.0

Iodine binding site 10 out of 17 in 6de8

Go back to Iodine Binding Sites List in 6de8
Iodine binding site 10 out of 17 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I301

b:0.9
occ:0.72
 O B:HOH422 3.3 48.8 1.0
NZ B:LYS278 4.0 50.5 1.0
CD B:LYS278 4.0 48.2 1.0
NZ B:LYS20 4.4 54.9 1.0
CE B:LYS278 4.5 50.2 1.0
O B:HOH561 4.6 44.2 1.0

Reference:

Y.Kim, M.Makowska-Grzyska, R.Zhang, S.N.Peterson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Bifunctional Enzyme Fold-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase From Campylobacter Jejuni To Be Published.
Page generated: Sun Aug 11 22:50:53 2024

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