Atomistry » Chlorine » PDB 6de4-6dov » 6deb
Atomistry »
  Chlorine »
    PDB 6de4-6dov »
      6deb »

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 Jul 27 21:31:43 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy