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Sodium in PDB 6dds: Mycobacterium Tuberculosis Dihydrofolate Reductase Complexed with Beta-Nadph and 4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]Prop- 2-Ynyl]-5-Methoxy-Phenyl]Benzoic Acid

Enzymatic activity of Mycobacterium Tuberculosis Dihydrofolate Reductase Complexed with Beta-Nadph and 4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]Prop- 2-Ynyl]-5-Methoxy-Phenyl]Benzoic Acid

All present enzymatic activity of Mycobacterium Tuberculosis Dihydrofolate Reductase Complexed with Beta-Nadph and 4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]Prop- 2-Ynyl]-5-Methoxy-Phenyl]Benzoic Acid:
1.5.1.3;

Protein crystallography data

The structure of Mycobacterium Tuberculosis Dihydrofolate Reductase Complexed with Beta-Nadph and 4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]Prop- 2-Ynyl]-5-Methoxy-Phenyl]Benzoic Acid, PDB code: 6dds was solved by B.Hajian, D.Wright, E.Scocchera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.00 / 1.72
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.204, 60.804, 60.723, 90.15, 89.94, 90.02
R / Rfree (%) 18.2 / 20.6

Sodium Binding Sites:

The binding sites of Sodium atom in the Mycobacterium Tuberculosis Dihydrofolate Reductase Complexed with Beta-Nadph and 4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]Prop- 2-Ynyl]-5-Methoxy-Phenyl]Benzoic Acid (pdb code 6dds). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Mycobacterium Tuberculosis Dihydrofolate Reductase Complexed with Beta-Nadph and 4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]Prop- 2-Ynyl]-5-Methoxy-Phenyl]Benzoic Acid, PDB code: 6dds:

Sodium binding site 1 out of 1 in 6dds

Go back to Sodium Binding Sites List in 6dds
Sodium binding site 1 out of 1 in the Mycobacterium Tuberculosis Dihydrofolate Reductase Complexed with Beta-Nadph and 4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]Prop- 2-Ynyl]-5-Methoxy-Phenyl]Benzoic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Mycobacterium Tuberculosis Dihydrofolate Reductase Complexed with Beta-Nadph and 4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]Prop- 2-Ynyl]-5-Methoxy-Phenyl]Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na204

b:38.5
occ:1.00
 O A:HOH362 2.8 24.5 1.0
NH2 A:ARG143 2.8 29.6 1.0
O A:HOH301 2.9 48.5 1.0
O A:HOH406 3.2 31.4 1.0
CA A:GLY140 3.5 29.6 1.0
CZ A:ARG143 3.6 33.7 1.0
NE A:ARG143 3.7 26.1 1.0
N A:GLU141 4.0 26.8 1.0
C A:GLY140 4.1 25.3 1.0
CB A:LEU153 4.3 25.5 1.0
CD1 A:LEU153 4.4 33.5 1.0
CG A:LEU153 4.5 25.6 1.0
O A:GLU141 4.5 30.2 1.0
N A:GLY140 4.6 29.5 1.0
O A:LEU153 4.7 25.6 1.0
NH1 A:ARG143 4.7 28.0 1.0
O A:HOH409 4.7 39.4 1.0
N A:LEU153 4.8 21.6 1.0
CD A:ARG143 5.0 27.7 1.0

Reference:

B.Hajian, E.Scocchera, C.Shoen, J.Krucinska, K.Viswanathan, N.G-Dayanandan, H.Erlandsen, A.Estrada, K.Mikusova, J.Kordulakova, M.Cynamon, D.Wright. Drugging the Folate Pathway in Mycobacterium Tuberculosis: the Role of Multi-Targeting Agents. Cell Chem Biol V. 26 781 2019.
ISSN: ESSN 2451-9456
PubMed: 30930162
DOI: 10.1016/J.CHEMBIOL.2019.02.013
Page generated: Tue Oct 8 07:42:43 2024

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