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Potassium in PDB 5hi6: The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form

Enzymatic activity of The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form

All present enzymatic activity of The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form:
1.5.1.3;

Protein crystallography data

The structure of The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form, PDB code: 5hi6 was solved by C.Chang, N.Maltseva, Y.Kim, M.Makowska-Grzyska, R.Mulligan, L.Papazisi, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.69 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.151, 60.623, 109.942, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 22.3

Other elements in 5hi6:

The structure of The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Chlorine (Cl) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form (pdb code 5hi6). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form, PDB code: 5hi6:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 5hi6

Go back to Potassium Binding Sites List in 5hi6
Potassium binding site 1 out of 2 in the The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K203

b:61.8
occ:1.00
 O A:GLU71 2.7 43.8 1.0
OD1 B:ASP12 2.8 44.8 1.0
OD2 B:ASP12 2.8 51.9 1.0
CG B:ASP12 3.1 43.8 1.0
OE2 B:GLU119 3.4 80.3 1.0
C A:GLU71 3.7 36.6 1.0
O B:HOH304 3.8 37.5 1.0
CB A:GLU71 4.3 45.5 1.0
CA A:ARG72 4.5 26.6 1.0
N A:ARG72 4.5 33.6 1.0
CD B:GLU119 4.5 71.8 1.0
CA A:GLU71 4.5 43.6 1.0
CB B:ASP12 4.6 29.6 1.0
O A:HOH355 4.7 33.9 1.0
O A:HOH325 4.9 33.8 1.0
C A:ARG72 4.9 29.5 1.0
OE1 B:GLU119 4.9 72.1 1.0

Potassium binding site 2 out of 2 in 5hi6

Go back to Potassium Binding Sites List in 5hi6
Potassium binding site 2 out of 2 in the The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K202

b:27.0
occ:0.46
 O B:HOH424 2.7 36.1 1.0
O B:ALA8 2.7 14.2 1.0
O B:ILE15 2.8 21.8 1.0
O B:HOH353 3.1 18.9 1.0
C B:ILE15 3.7 18.9 1.0
C B:ALA8 3.8 16.8 1.0
CZ2 B:TRP23 3.8 27.7 1.0
CA B:ILE15 3.8 15.9 1.0
O B:HOH440 3.8 48.8 1.0
CB B:ALA8 3.8 10.9 1.0
CG B:MSE21 4.0 19.8 1.0
CH2 B:TRP23 4.1 34.9 1.0
CB B:ILE15 4.1 10.9 1.0
CA B:ALA8 4.2 9.8 1.0
O B:HOH379 4.2 40.3 1.0
N B:ALA8 4.3 12.6 1.0
CG2 B:ILE15 4.7 9.3 1.0
O B:HOH366 4.7 33.8 1.0
SE B:MSE21 4.9 29.2 0.4
N B:GLY16 4.9 20.2 1.0
N B:LEU9 4.9 15.1 1.0
CE2 B:TRP23 5.0 27.2 1.0
O B:VAL14 5.0 16.9 1.0

Reference:

C.Chang, N.Maltseva, Y.Kim, M.Makowska-Grzyska, R.Mulligan, L.Papazisi, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). The High Resolution Structure of Dihydrofolate Reductase From Yersinia Pestis Complex with Methotrexate As Closed Form To Be Published.
Page generated: Mon Aug 12 13:50:08 2024

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