Chlorine in PDB 6nni: Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine

Enzymatic activity of Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine

All present enzymatic activity of Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine:
1.5.1.3;

Protein crystallography data

The structure of Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine, PDB code: 6nni was solved by J.A.Ribeiro, S.M.Chavez-Pacheco, M.V.B.Dias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.15 / 1.56
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.505, 71.372, 72.373, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 21

Other elements in 6nni:

The structure of Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine also contains other interesting chemical elements:

Cobalt (Co) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine (pdb code 6nni). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine, PDB code: 6nni:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6nni

Go back to Chlorine Binding Sites List in 6nni
Chlorine binding site 1 out of 2 in the Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:17.4
occ:1.00
 CL1 A:CP6203 0.0 17.4 1.0
C10 A:CP6203 1.8 12.7 1.0
C9 A:CP6203 2.7 12.8 1.0
C11 A:CP6203 2.8 13.8 1.0
CG2 A:THR46 3.5 14.0 1.0
CD2 A:LEU50 3.5 19.8 1.0
CG A:LEU50 3.6 16.2 1.0
OG A:SER49 3.8 16.3 1.0
O A:HOH329 3.9 15.5 1.0
O A:THR46 3.9 14.1 1.0
C8 A:CP6203 4.0 12.6 1.0
C12 A:CP6203 4.1 11.8 1.0
CD1 A:LEU50 4.1 18.8 1.0
O A:HOH420 4.4 21.3 1.0
O1 A:MES204 4.4 36.5 1.0
C7 A:CP6203 4.6 13.2 1.0
C5 A:MES204 4.6 36.7 1.0
C6 A:MES204 4.6 40.0 1.0
C A:THR46 4.7 12.4 1.0
CD1 A:ILE94 4.9 12.3 1.0
CB A:THR46 4.9 11.7 1.0
CB A:LEU50 5.0 17.5 1.0

Chlorine binding site 2 out of 2 in 6nni

Go back to Chlorine Binding Sites List in 6nni
Chlorine binding site 2 out of 2 in the Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Closed State of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pyrimethamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:20.2
occ:1.00
 CL1 B:CP6203 0.0 20.2 1.0
C10 B:CP6203 1.8 15.9 1.0
C11 B:CP6203 2.7 13.6 1.0
C9 B:CP6203 2.8 18.8 1.0
CD2 B:LEU50 3.5 23.6 1.0
CG2 B:THR46 3.5 12.7 1.0
CG B:LEU50 3.6 19.7 1.0
OG B:SER49 3.7 18.9 1.0
O B:HOH322 3.8 20.2 1.0
O B:THR46 3.9 13.2 1.0
C2 B:MES204 3.9 41.2 1.0
CD1 B:LEU50 4.0 19.6 1.0
C12 B:CP6203 4.0 15.7 1.0
C8 B:CP6203 4.1 17.0 1.0
O B:HOH398 4.5 50.2 1.0
C7 B:CP6203 4.6 15.4 1.0
C B:THR46 4.7 14.6 1.0
C3 B:MES204 4.7 38.8 1.0
CB B:THR46 4.9 13.0 1.0
O1 B:MES204 4.9 43.7 1.0
CD1 B:ILE94 4.9 13.5 1.0
CB B:LEU50 4.9 18.0 1.0

Reference:

J.A.Ribeiro, S.M.Chavez-Pacheco, G.S.De Oliveira, C.D.S.Silva, J.H.P.Giudice, G.A.Libreros-Zuniga, M.V.B.Dias. Crystal Structures of the Closed Form of Mycobacterium Tuberculosis Dihydrofolate Reductase in Complex with Dihydrofolate and Antifolates. Acta Crystallogr D Struct V. 75 682 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31282477
DOI: 10.1107/S205979831900901X
Page generated: Sat Dec 12 13:24:25 2020

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