Chlorine in PDB 5u27: Crystal Structure of Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor:
1.5.1.3;

The structure of Crystal Structure of Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor, PDB code: 5u27 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)	33.52 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	29.730, 66.550, 77.600, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 21.1

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor (pdb code 5u27). 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 Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor, PDB code: 5u27:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor


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 Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:30.3 occ:1.00 CL3 A:P65205 0.0 30.3 1.0 C16 A:P65205 1.8 18.9 1.0 C15 A:P65205 2.7 18.4 1.0 C17 A:P65205 2.7 18.3 1.0 OD1 A:ASP19 3.0 26.7 1.0 CL2 A:P65205 3.1 31.6 1.0 NH2 A:ARG23 3.6 25.2 1.0 NH1 A:ARG23 3.7 22.1 1.0 CZ A:ARG23 3.7 23.9 1.0 C12 A:P65205 4.0 17.4 1.0 C14 A:P65205 4.0 18.2 1.0 N A:ILE20 4.2 17.7 1.0 O A:SER49 4.2 18.4 1.0 CD1 A:ILE20 4.2 15.5 1.0 CG1 A:ILE20 4.2 15.9 1.0 CG A:ASP19 4.2 26.1 1.0 CB A:ILE20 4.2 16.9 1.0 NE A:ARG23 4.5 23.5 1.0 O A:HOH325 4.5 21.5 1.0 CD A:PRO51 4.5 17.4 1.0 C13 A:P65205 4.5 17.8 1.0 CG A:PRO51 4.6 18.5 1.0 C1 A:EDO202 4.7 27.8 1.0 CA A:ILE20 4.8 17.1 1.0 OD2 A:ASP19 4.8 28.9 1.0 C2 A:EDO202 4.9 27.9 1.0 O A:ILE20 5.0 19.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor


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 Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:31.6 occ:1.00 CL2 A:P65205 0.0 31.6 1.0 C15 A:P65205 1.8 18.4 1.0 C14 A:P65205 2.7 18.2 1.0 C16 A:P65205 2.7 18.9 1.0 CL3 A:P65205 3.1 30.3 1.0 NE A:ARG23 3.2 23.5 1.0 C2 A:EDO202 3.3 27.9 1.0 CZ A:ARG23 3.5 23.9 1.0 O A:HOH401 3.6 40.3 1.0 CD A:ARG23 3.7 22.0 1.0 CG A:PRO51 3.7 18.5 1.0 NH2 A:ARG23 3.9 25.2 1.0 C13 A:P65205 4.0 17.8 1.0 C17 A:P65205 4.0 18.3 1.0 NH1 A:ARG23 4.1 22.1 1.0 C1 A:EDO202 4.2 27.8 1.0 O2 A:EDO202 4.4 26.8 1.0 CD A:PRO51 4.5 17.4 1.0 C12 A:P65205 4.5 17.4 1.0 O A:HOH403 4.7 43.5 1.0 NE2 A:GLN28 4.9 23.5 1.0 O A:HOH303 4.9 24.1 1.0 O A:HOH419 5.0 34.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor


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 Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:23.1 occ:1.00 CL1 A:P65205 0.0 23.1 1.0 C13 A:P65205 1.8 17.8 1.0 C12 A:P65205 2.7 17.4 1.0 C14 A:P65205 2.7 18.2 1.0 O11 A:P65205 2.9 15.2 1.0 OE1 A:GLN28 3.7 26.4 1.0 C1 A:EDO203 3.8 31.5 1.0 CG A:GLN28 3.9 23.4 1.0 CD A:GLN28 4.0 24.8 1.0 C15 A:P65205 4.0 18.4 1.0 C17 A:P65205 4.0 18.3 1.0 CD2 A:LEU57 4.2 18.9 1.0 C2 A:EDO203 4.3 31.4 1.0 C10 A:P65205 4.3 14.1 1.0 CE2 A:PHE31 4.4 15.2 1.0 CG2 A:VAL54 4.4 24.3 1.0 CD2 A:PHE31 4.5 16.0 1.0 CM1 A:P65205 4.5 14.8 1.0 C16 A:P65205 4.5 18.9 1.0 O2 A:EDO203 4.6 32.4 1.0 C8 A:P65205 4.7 12.0 1.0 CD2 A:LEU50 4.8 16.7 1.0 C9 A:P65205 4.8 13.0 1.0 NE2 A:GLN28 4.9 23.5 1.0

S.J.Mayclin, J.W.Fairman, D.D.Lorimer, T.E.Edwards. Crystal Structure of Mycobacterium Tuberculosis Dihydrofolate Reductase Bound to Nadp and P65 Inhibitor To Be Published.