Chlorine in PDB 6deb: Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni

Enzymatic activity of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni

All present enzymatic activity of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate 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 in the Complex with Methotrexate From Campylobacter Jejuni, PDB code: 6deb was solved by Y.Kim, M.Makowska-Grzyska, N.Maltseva, S.Grimshaw, A.Joachimiak, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.14 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 163.867, 59.086, 72.993, 90.00, 100.08, 90.00
R / Rfree (%) 16.1 / 18.8

Other elements in 6deb:

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

Potassium (K) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni (pdb code 6deb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni, PDB code: 6deb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6deb

Go back to Chlorine Binding Sites List in 6deb
Chlorine binding site 1 out of 3 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:32.6
occ:1.00
 O A:HOH580 3.1 18.6 1.0
N A:GLY259 3.3 25.0 1.0
CB A:PRO258 3.4 32.7 1.0
CA A:PRO258 3.6 26.7 1.0
CD A:PRO263 3.9 19.4 1.0
C A:PRO258 4.0 28.4 1.0
CA A:GLY262 4.0 21.5 1.0
O A:HOH609 4.3 33.7 1.0
CA A:GLY259 4.4 23.8 1.0
N A:GLY262 4.4 22.4 1.0
CD1 A:ILE230 4.4 45.9 1.0
CG A:PRO263 4.6 21.9 1.0
N A:PRO263 4.6 17.4 1.0
C A:GLY262 4.7 20.3 1.0
N A:GLY260 4.8 23.2 1.0
CG A:PRO258 4.9 34.9 1.0
CG1 A:ILE230 4.9 40.4 1.0
N A:PRO258 5.0 22.4 1.0

Chlorine binding site 2 out of 3 in 6deb

Go back to Chlorine Binding Sites List in 6deb
Chlorine binding site 2 out of 3 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:28.1
occ:1.00
 O B:HOH630 2.6 37.9 1.0
O B:HOH571 3.0 20.3 1.0
O B:HOH661 3.3 36.6 1.0
N B:GLY259 3.4 21.3 1.0
CB B:PRO258 3.6 26.9 1.0
CA B:PRO258 3.6 20.5 1.0
CA B:GLY262 3.9 15.9 1.0
CD1 B:ILE230 3.9 27.1 1.0
CD B:PRO263 4.0 18.3 1.0
C B:PRO258 4.0 20.2 1.0
N B:GLY262 4.3 15.9 1.0
O B:HOH609 4.4 34.1 1.0
O B:HOH657 4.5 44.0 1.0
CA B:GLY259 4.5 20.6 1.0
O B:HOH625 4.6 36.0 1.0
C B:GLY262 4.6 19.7 1.0
N B:PRO263 4.7 17.8 1.0
CG B:PRO258 4.8 30.5 1.0
O B:HOH637 4.8 31.2 1.0
CG B:PRO263 4.9 18.2 1.0
N B:GLY260 4.9 16.8 1.0
N B:PRO258 5.0 19.5 1.0

Chlorine binding site 3 out of 3 in 6deb

Go back to Chlorine Binding Sites List in 6deb
Chlorine binding site 3 out of 3 in the Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Bifunctional Enzyme Fold- Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl307

b:25.1
occ:0.95
 O B:HOH485 3.1 27.6 1.0
O B:HOH660 3.3 38.5 1.0
N B:ILE189 3.3 15.8 1.0
CB B:HIS188 3.7 16.6 1.0
CA B:HIS188 3.8 12.6 1.0
CB B:ILE189 3.9 14.4 1.0
C B:HIS188 4.0 15.8 1.0
CG2 B:ILE189 4.1 18.2 1.0
CA B:ILE189 4.2 17.3 1.0
CA B:GLY164 4.3 16.2 1.0
N B:GLY164 4.9 15.0 1.0
N B:ALA165 4.9 14.1 1.0

Reference:

Y.Kim, M.Makowska-Grzyska, N.Maltseva, S.Grimshaw, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Bifunctional Enzyme Fold-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate From Campylobacter Jejuni To Be Published.
Page generated: Sat Dec 12 12:52:57 2020

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