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Bromine in PDB 5sco: Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7:
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7, PDB code: 5sco 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) 30.96 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 29.3, 67.41, 78.33, 90, 90, 90
R / Rfree (%) 16.5 / 20

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7 (pdb code 5sco). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7, PDB code: 5sco:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 5sco

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Bromine binding site 1 out of 4 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7


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 From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br203

b:15.7
occ:0.89
 O A:HOH350 3.2 15.1 1.0
NE2 A:GLN28 3.3 18.0 1.0
N A:LEU24 3.4 14.8 1.0
CA A:ARG23 3.8 15.8 1.0
CG A:GLN28 3.8 14.4 1.0
CD A:ARG23 3.8 18.1 1.0
C04 A:GQO202 4.0 12.2 1.0
CD A:GLN28 4.1 16.5 1.0
C A:ARG23 4.1 16.2 1.0
O A:TRP22 4.1 15.7 1.0
O A:LEU24 4.2 12.7 1.0
C03 A:GQO202 4.3 11.8 1.0
CA A:LEU24 4.4 12.8 1.0
C A:LEU24 4.5 13.6 1.0
C17 A:GQO202 4.5 21.0 1.0
CB A:ARG23 4.6 17.4 1.0
CD1 A:TRP22 4.6 12.0 1.0
CB A:LEU24 4.7 12.8 1.0
NE1 A:TRP22 4.7 12.0 1.0
N A:ARG23 4.8 15.9 1.0
NE A:ARG23 4.8 18.4 1.0
CG A:ARG23 4.8 17.8 1.0
NH1 A:ARG23 4.8 19.3 1.0
C A:TRP22 4.8 15.5 1.0
CG2 A:ILE20 4.9 12.4 1.0
CD1 A:ILE20 4.9 13.0 1.0
OD2 A:ASP27 4.9 10.6 1.0

Bromine binding site 2 out of 4 in 5sco

Go back to Bromine Binding Sites List in 5sco
Bromine binding site 2 out of 4 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7


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 From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br204

b:19.7
occ:0.84
 O A:HOH415 3.1 17.0 1.0
O A:HOH430 3.2 12.8 1.0
C24 A:GQO202 3.5 33.5 1.0
NH1 A:ARG32 3.6 15.6 1.0
CD A:PRO58 3.8 15.0 1.0
C23 A:GQO202 3.9 35.7 1.0
NE A:ARG32 3.9 14.3 1.0
CG1 A:VAL54 3.9 26.6 1.0
NH2 A:ARG60 4.0 10.7 1.0
N22 A:GQO202 4.0 23.9 1.0
CD2 A:LEU57 4.1 12.5 1.0
CZ A:ARG32 4.2 14.7 1.0
CG A:PRO58 4.5 15.8 1.0
CB A:LEU57 4.6 11.7 1.0
CA A:LEU57 4.8 12.7 1.0
CG A:LEU57 4.9 11.7 1.0
N A:PRO58 4.9 13.7 1.0
O A:HOH344 5.0 14.9 1.0

Bromine binding site 3 out of 4 in 5sco

Go back to Bromine Binding Sites List in 5sco
Bromine binding site 3 out of 4 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br205

b:18.6
occ:0.70
 NE A:ARG146 3.1 14.7 1.0
NH1 A:ARG146 3.3 16.7 1.0
O A:HOH301 3.5 9.1 1.0
CZ A:ARG146 3.7 15.0 1.0
CG A:PRO25 3.8 16.6 1.0
N A:SER147 3.8 15.5 1.0
CB A:SER147 3.9 18.7 1.0
CA A:SER147 4.1 17.4 1.0
CB A:ARG146 4.1 11.8 1.0
CG A:ARG146 4.2 12.8 1.0
CD A:ARG146 4.2 14.1 1.0
CD A:PRO25 4.4 15.9 1.0
C A:ARG146 4.4 14.0 1.0
CB A:PRO25 4.5 16.3 1.0
CA A:ARG146 4.8 12.5 1.0
OG A:SER147 4.9 19.8 1.0
NH2 A:ARG146 5.0 14.3 1.0

Bromine binding site 4 out of 4 in 5sco

Go back to Bromine Binding Sites List in 5sco
Bromine binding site 4 out of 4 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br206

b:25.5
occ:0.75
 O3D A:NAP201 3.1 13.2 1.0
O A:HOH399 3.2 25.3 1.0
O A:HOH401 3.4 25.1 1.0
N A:GLY18 3.5 16.0 1.0
N A:ARG16 3.6 11.5 1.0
N A:GLY17 3.7 13.0 1.0
C A:GLY15 3.8 10.6 1.0
CA A:ARG16 3.8 12.1 1.0
O A:HOH387 3.8 16.9 1.0
C A:ARG16 3.9 12.4 1.0
O A:GLY15 4.0 10.8 1.0
C3D A:NAP201 4.0 11.6 1.0
C4D A:NAP201 4.0 10.3 1.0
O A:GLY124 4.1 16.7 1.0
CA A:GLY18 4.1 16.6 1.0
N A:ALA126 4.2 10.8 1.0
CB A:ALA126 4.3 10.2 1.0
CA A:GLY15 4.5 10.6 1.0
C A:GLY17 4.5 15.7 1.0
CA A:GLY17 4.5 14.4 1.0
O A:ARG16 4.7 12.8 1.0
O2N A:NAP201 4.7 11.6 1.0
C5D A:NAP201 4.8 10.0 1.0
CA A:ALA126 4.9 10.4 1.0
C A:ASP125 4.9 11.8 1.0
N A:ASP19 5.0 14.9 1.0

Reference:

S.J.Mayclin, J.W.Fairman, D.M.Dranow, D.G.Conrady, D.Fox Iii, C.M.Lukacs, D.D.Lorimer, P.S.Horanyi, T.E.Edwards, J.Abendroth. Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-M7 To Be Published.
Page generated: Thu Jul 11 00:54:52 2024

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