Fluorine in PDB 7km9: Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From:
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From, PDB code: 7km9 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.73 / 1.95
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 58.97, 58.97, 130.34, 90, 90, 90
R / Rfree (%) 18.2 / 21.3

Other elements in 7km9:

The structure of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From also contains other interesting chemical elements:

Bromine (Br) 2 atoms
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From (pdb code 7km9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From, PDB code: 7km9:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7km9

Go back to Fluorine Binding Sites List in 7km9
Fluorine binding site 1 out of 2 in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:45.9
occ:1.00
 F24 A:WPJ202 0.0 45.9 1.0
C23 A:WPJ202 1.4 39.7 1.0
F25 A:WPJ202 2.2 40.7 1.0
C22 A:WPJ202 2.4 35.0 1.0
C21 A:WPJ202 2.9 29.8 1.0
C19 A:WPJ202 3.6 34.7 1.0
C26 A:WPJ202 3.7 40.8 1.0
CE1 A:HIS56 3.7 41.2 1.0
C20 A:WPJ202 3.8 32.3 1.0
ND1 A:HIS56 3.9 37.5 1.0
O27 A:WPJ202 4.1 34.0 1.0
O A:HOH308 4.2 43.3 1.0
CD2 A:LEU30 4.2 35.2 1.0
NE2 A:HIS56 4.3 33.7 1.0
CG A:HIS56 4.5 36.0 1.0
O28 A:WPJ202 4.6 33.3 1.0
O A:HOH401 4.6 39.1 1.0
CD2 A:HIS56 4.7 33.5 1.0
CG A:LEU30 4.8 36.9 1.0
CB A:LEU30 4.8 32.7 1.0
C18 A:WPJ202 4.9 36.1 1.0

Fluorine binding site 2 out of 2 in 7km9

Go back to Fluorine Binding Sites List in 7km9
Fluorine binding site 2 out of 2 in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal From within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:40.7
occ:1.00
 F25 A:WPJ202 0.0 40.7 1.0
C23 A:WPJ202 1.4 39.7 1.0
F24 A:WPJ202 2.2 45.9 1.0
C22 A:WPJ202 2.4 35.0 1.0
C21 A:WPJ202 2.9 29.8 1.0
C26 A:WPJ202 3.0 40.8 1.0
O A:HOH401 3.1 39.1 1.0
O27 A:WPJ202 3.5 34.0 1.0
O28 A:WPJ202 3.6 33.3 1.0
CD A:LYS34 3.6 35.1 1.0
CB A:LYS34 4.0 33.0 1.0
O A:LEU30 4.1 29.7 1.0
CG A:LYS34 4.2 35.3 1.0
C20 A:WPJ202 4.3 32.3 1.0
CB A:LEU30 4.4 32.7 1.0
CE A:LYS34 4.5 45.3 1.0
C A:LEU30 4.5 30.6 1.0
O A:HOH308 4.6 43.3 1.0
NZ A:LYS34 4.8 50.4 1.0
C19 A:WPJ202 4.9 34.7 1.0
O A:HOH361 5.0 42.1 1.0
CG A:LEU30 5.0 36.9 1.0

Reference:

J.Abendroth, D.M.Dranow, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001913, Tetragonal Crystal Form To Be Published.
Page generated: Fri Aug 2 08:24:02 2024

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