Atomistry » Chlorine » PDB 5s2y-5sda » 5scw
Atomistry »
  Chlorine »
    PDB 5s2y-5sda »
      5scw »

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: Fri Jul 26 16:42:11 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy