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Chlorine in PDB 5scw: Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916:
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-916, PDB code: 5scw 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) 39.48 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 29.98, 67.47, 78.96, 90, 90, 90
R / Rfree (%) 16.5 / 20.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916 (pdb code 5scw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916, PDB code: 5scw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5scw

Go back to Chlorine Binding Sites List in 5scw
Chlorine binding site 1 out of 3 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:25.8
occ:1.00
 O A:HOH326 2.8 23.8 1.0
O A:HOH328 3.3 24.4 1.0
NH2 A:ARG158 3.5 15.8 1.0
NH1 A:ARG158 3.5 21.4 1.0
CA A:PRO105 3.8 15.4 1.0
CZ A:ARG158 4.0 20.6 1.0
O A:LEU104 4.0 17.0 1.0
OD2 A:ASP132 4.1 32.1 1.0
CG A:LEU104 4.1 17.2 1.0
N A:PRO105 4.2 14.7 1.0
C A:LEU104 4.2 14.1 1.0
CB A:PRO105 4.6 19.2 1.0
CG A:PRO105 4.7 17.9 1.0
CD2 A:LEU104 4.7 20.4 1.0
C A:PRO105 4.7 16.4 1.0
O A:PRO105 4.8 17.3 1.0
CD1 A:LEU104 4.9 15.7 1.0
CB A:LEU104 4.9 15.8 1.0
CD A:PRO105 4.9 14.8 1.0

Chlorine binding site 2 out of 3 in 5scw

Go back to Chlorine Binding Sites List in 5scw
Chlorine binding site 2 out of 3 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:15.3
occ:0.67
 O25 A:H6O202 2.9 51.6 1.0
O A:HOH398 3.0 24.1 1.0
NH1 A:ARG60 3.3 13.4 1.0
C24 A:H6O202 3.3 49.8 1.0
NH2 A:ARG60 3.3 18.3 1.0
NE2 A:GLN28 3.5 34.9 1.0
CZ A:ARG60 3.8 18.1 1.0
CB A:ARG32 3.8 16.5 1.0
CD2 A:PHE31 3.8 14.1 1.0
CE2 A:PHE31 3.9 15.0 1.0
CG A:ARG32 3.9 15.6 1.0
CA A:ARG32 4.3 14.0 1.0
C26 A:H6O202 4.3 52.8 1.0
C23 A:H6O202 4.4 44.9 1.0
CD A:ARG32 4.4 24.5 1.0
CD A:GLN28 4.5 33.4 1.0
CD2 A:LEU57 4.6 28.3 1.0
CD1 A:LEU57 4.6 22.1 1.0
N A:ARG32 4.6 14.7 1.0
O27 A:H6O202 4.7 54.7 1.0
C22 A:H6O202 4.7 39.5 1.0
CG A:GLN28 4.7 28.1 1.0
O A:GLN28 4.7 14.9 1.0

Chlorine binding site 3 out of 3 in 5scw

Go back to Chlorine Binding Sites List in 5scw
Chlorine binding site 3 out of 3 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-916 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:34.8
occ:0.75
 O A:HOH304 3.1 25.2 1.0
N A:LEU127 3.1 15.8 1.0
O A:LEU127 3.7 20.7 1.0
CA A:GLY97 3.8 17.4 1.0
CA A:ALA126 3.8 18.1 1.0
C A:ALA126 3.9 20.3 1.0
CA A:LEU127 4.0 17.1 1.0
CB A:LEU127 4.1 15.7 1.0
C A:GLY97 4.1 17.0 1.0
C A:LEU127 4.3 19.4 1.0
O A:ASP125 4.3 23.6 1.0
O A:HOH334 4.4 24.0 1.0
CB A:ALA126 4.4 18.6 1.0
CG A:LEU127 4.5 17.6 1.0
O A:GLY97 4.5 16.5 1.0
O A:HOH392 4.6 29.5 1.0
N A:GLN98 4.7 17.2 1.0
O1N A:NAP201 4.8 21.2 1.0
N A:GLY97 4.9 15.0 1.0
N A:ALA126 4.9 17.7 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-916 To Be Published.
Page generated: Tue Apr 4 20:15:17 2023

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