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Bromine 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:

Fluorine (F) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total 2 binding sites of Bromine 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 Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 7km7

Go back to Bromine Binding Sites List in 7km7
Bromine 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 Bromine with other atoms in the Br 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:Br203

b:33.1
occ:0.50
 O A:HOH394 3.2 29.2 1.0
CG A:PRO27 4.0 26.9 1.0
O A:HOH445 4.2 33.7 1.0
CD A:PRO27 4.3 24.6 1.0
CA A:PRO27 4.3 21.9 1.0
N A:PRO27 4.3 23.9 1.0
CD2 A:LEU30 4.4 33.3 1.0
CD A:ARG25 4.4 22.2 1.0
CB A:ARG25 4.4 22.6 1.0
CB A:PRO27 4.5 26.6 1.0
N A:LEU26 4.8 23.2 1.0
C A:LEU26 4.8 24.9 1.0
CG A:ARG25 4.9 23.1 1.0

Bromine binding site 2 out of 2 in 7km7

Go back to Bromine Binding Sites List in 7km7
Bromine 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 Bromine with other atoms in the Br 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:Br204

b:33.5
occ:0.77
 O A:HOH380 3.1 31.4 1.0
O A:HOH394 3.7 29.2 1.0
NH1 A:ARG25 3.9 29.4 1.0
O A:HOH397 4.0 36.6 1.0
C18 A:WPD202 4.1 25.9 1.0
CD A:ARG25 4.1 22.2 1.0
CZ A:ARG25 4.2 24.4 1.0
C17 A:WPD202 4.2 21.4 1.0
O A:HOH411 4.2 33.6 1.0
CD1 A:ILE22 4.2 26.6 1.0
NE A:ARG25 4.3 27.3 1.0
CD1 A:LEU30 4.3 29.6 1.0
CB A:ILE22 4.4 19.2 1.0
O A:TRP24 4.5 21.4 1.0
CD2 A:LEU30 4.6 33.3 1.0
CG1 A:ILE22 4.7 25.1 1.0
CG A:LEU30 5.0 25.5 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: Thu Jul 11 04:02:41 2024

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