Bromine 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:

Fluorine (F) 2 atoms
Chlorine (Cl) 1 atom

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-0001913, Tetragonal Crystal From (pdb code 7km9). 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-0001913, Tetragonal Crystal From, PDB code: 7km9:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 7km9

Go back to Bromine Binding Sites List in 7km9
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-0001913, 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-0001913, Tetragonal Crystal From within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br203

b:30.8
occ:0.50
 O A:HOH385 3.1 39.7 1.0
CG A:PRO27 4.1 38.1 1.0
CD2 A:LEU30 4.2 35.2 1.0
O A:HOH412 4.2 44.0 1.0
N A:PRO27 4.3 33.9 1.0
CD A:PRO27 4.3 31.2 1.0
CA A:PRO27 4.3 30.5 1.0
CB A:ARG25 4.4 32.8 1.0
CD A:ARG25 4.4 30.0 1.0
CB A:PRO27 4.6 36.9 1.0
N A:LEU26 4.7 30.1 1.0
C A:LEU26 4.8 29.8 1.0
CG A:ARG25 4.9 30.6 1.0
CA A:ARG25 5.0 33.2 1.0

Bromine binding site 2 out of 2 in 7km9

Go back to Bromine Binding Sites List in 7km9
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-0001913, 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-0001913, Tetragonal Crystal From within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br204

b:41.4
occ:0.75
 O A:HOH344 3.2 36.5 1.0
O A:HOH385 3.8 39.7 1.0
O A:HOH377 3.9 35.5 1.0
NH1 A:ARG25 3.9 32.0 1.0
CD1 A:ILE22 4.1 30.0 1.0
O A:HOH396 4.1 35.7 1.0
CZ A:ARG25 4.3 39.0 1.0
CB A:ILE22 4.4 28.8 1.0
CD A:ARG25 4.4 30.0 1.0
CD1 A:LEU30 4.4 35.5 1.0
C18 A:WPJ202 4.4 36.1 1.0
NE A:ARG25 4.5 33.3 1.0
C17 A:WPJ202 4.6 33.3 1.0
CG1 A:ILE22 4.6 28.6 1.0
O A:TRP24 4.6 28.0 1.0
CD2 A:LEU30 4.7 35.2 1.0
C02 A:WPJ202 5.0 25.3 1.0
CG2 A:ILE22 5.0 28.6 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: Thu Jul 11 04:02:56 2024

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