Fluorine in PDB 7km7: Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001914, Tetragonal Crystal From

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001914, 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-0001914, 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-0001914, Tetragonal Crystal From, PDB code: 7km7 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) 43.66 / 1.80
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 59.13, 59.13, 129.49, 90, 90, 90
R / Rfree (%) 17.7 / 20.9

Other elements in 7km7:

The structure of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001914, Tetragonal Crystal From also contains other interesting chemical elements:

Bromine (Br) 2 atoms

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-0001914, Tetragonal Crystal From (pdb code 7km7). 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-0001914, Tetragonal Crystal From, PDB code: 7km7:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7km7

Go back to Fluorine Binding Sites List in 7km7
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-0001914, 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-0001914, Tetragonal Crystal From within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:39.8
occ:1.00
F24 A:WPD202 0.0 39.8 1.0
C23 A:WPD202 1.4 35.1 1.0
F25 A:WPD202 2.2 34.0 1.0
C22 A:WPD202 2.4 24.8 1.0
C21 A:WPD202 2.9 26.1 1.0
CD2 A:LEU30 3.3 33.3 1.0
C20 A:WPD202 3.5 27.0 1.0
C19 A:WPD202 3.6 24.8 1.0
C26 A:WPD202 3.8 29.3 1.0
CG A:LEU30 3.8 25.5 1.0
CB A:LEU30 3.9 26.6 1.0
O27 A:WPD202 4.1 28.5 1.0
O A:HOH425 4.4 32.0 1.0
O A:HOH302 4.5 42.9 1.0
C29 A:WPD202 4.6 23.9 1.0
O28 A:WPD202 4.6 27.7 1.0
CE1 A:HIS56 4.7 34.5 1.0
NE2 A:HIS56 4.8 25.7 1.0
C18 A:WPD202 4.8 25.9 1.0
ND1 A:HIS56 4.9 29.9 1.0
CD2 A:HIS56 5.0 27.0 1.0
CA A:LEU30 5.0 23.5 1.0

Fluorine binding site 2 out of 2 in 7km7

Go back to Fluorine Binding Sites List in 7km7
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-0001914, 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-0001914, Tetragonal Crystal From within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:34.0
occ:1.00
F25 A:WPD202 0.0 34.0 1.0
C23 A:WPD202 1.4 35.1 1.0
F24 A:WPD202 2.2 39.8 1.0
C22 A:WPD202 2.3 24.8 1.0
C26 A:WPD202 2.8 29.3 1.0
O A:HOH425 3.2 32.0 1.0
O27 A:WPD202 3.2 28.5 1.0
O28 A:WPD202 3.4 27.7 1.0
O A:LEU30 3.6 22.9 1.0
CD A:LYS34 3.7 32.2 1.0
C21 A:WPD202 3.7 26.1 1.0
CB A:LYS34 3.7 29.4 1.0
CG A:LYS34 4.1 31.9 1.0
C A:LEU30 4.1 26.8 1.0
CB A:LEU30 4.1 26.6 1.0
O A:HOH302 4.3 42.9 1.0
CA A:LEU30 4.6 23.5 1.0
CG A:LEU30 4.6 25.5 1.0
CE A:LYS34 4.7 45.1 1.0
C20 A:WPD202 4.7 27.0 1.0
CD2 A:LEU30 4.8 33.3 1.0
CA A:LYS34 4.8 24.3 1.0
N A:ALA31 4.9 23.2 1.0
O A:HOH359 4.9 30.6 1.0
NZ A:LYS34 4.9 54.4 1.0
N A:LYS34 5.0 23.3 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-0001914, Tetragonal Crystal Form To Be Published.
Page generated: Fri Aug 2 08:23:44 2024

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