Chlorine in PDB 5scv: Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-889

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-889:
1.5.1.3;

The structure of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-889, PDB code: 5scv 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)	37.39 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	30.26, 67.42, 75.25, 90, 96.42, 90
R / Rfree (%)	16 / 19.2

The binding sites of Chlorine atom in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-889 (pdb code 5scv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-889, PDB code: 5scv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-889


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-889 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:31.2 occ:0.83 NE2 A:GLN28 3.0 26.0 1.0 N A:LEU24 3.2 14.1 1.0 O A:HOH321 3.2 18.1 1.0 CG A:GLN28 3.6 20.1 1.0 CA A:ARG23 3.7 17.4 1.0 CD A:GLN28 3.8 27.9 1.0 O A:LEU24 3.8 10.5 1.0 CD A:ARG23 3.9 27.5 1.0 C A:ARG23 3.9 13.3 1.0 O A:TRP22 4.0 13.9 1.0 CA A:LEU24 4.1 10.7 1.0 C A:LEU24 4.2 10.4 1.0 CB A:ARG23 4.5 20.9 1.0 CB A:LEU24 4.5 9.6 1.0 N A:ARG23 4.6 15.0 1.0 C01 A:H4U202 4.6 12.8 1.0 C A:TRP22 4.7 14.1 1.0 CD1 A:TRP22 4.7 8.9 1.0 NH1 A:ARG23 4.8 29.9 1.0 CG A:ARG23 4.8 22.6 1.0 NE A:ARG23 4.8 36.6 1.0 C19 A:H4U202 4.9 34.4 1.0 OD2 A:ASP27 4.9 9.5 1.0 NE1 A:TRP22 4.9 8.8 1.0 CB A:GLN28 5.0 14.2 1.0 C02 A:H4U202 5.0 9.1 1.0 OE1 A:GLN28 5.0 25.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-889


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-889 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:28.0 occ:0.87 NE2 B:GLN28 3.1 28.4 1.0 O B:HOH333 3.1 16.7 1.0 N B:LEU24 3.3 18.1 1.0 CG B:GLN28 3.7 22.2 1.0 O B:LEU24 3.8 16.5 1.0 CD B:GLN28 3.9 27.3 1.0 CA B:ARG23 4.0 25.6 1.0 CD B:ARG23 4.0 49.8 1.0 C B:ARG23 4.2 20.3 1.0 C B:LEU24 4.2 15.2 1.0 CA B:LEU24 4.2 16.4 1.0 O B:TRP22 4.2 20.6 1.0 C01 B:H4U202 4.3 15.3 1.0 CB B:LEU24 4.5 15.4 1.0 C19 B:H4U202 4.6 27.4 1.0 C02 B:H4U202 4.6 15.9 1.0 CD1 B:TRP22 4.7 12.8 1.0 NE1 B:TRP22 4.8 13.4 1.0 OD2 B:ASP27 4.8 11.0 1.0 CB B:ARG23 4.9 36.0 1.0 N B:ARG23 4.9 20.0 1.0 C B:TRP22 4.9 17.3 1.0 NE B:ARG23 4.9 54.0 1.0

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-889 To Be Published.