Chlorine in PDB 5sd6: Crystal Structure of Dihydrofolate Reductase From Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892:
1.5.1.3;

The structure of Crystal Structure of Dihydrofolate Reductase From Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892, PDB code: 5sd6 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)	40.14 / 2.15
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.19, 74.19, 143.21, 90, 90, 90
R / Rfree (%)	16.7 / 20.4

The binding sites of Chlorine atom in the Crystal Structure of Dihydrofolate Reductase From Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892 (pdb code 5sd6). 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 Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892, PDB code: 5sd6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Dihydrofolate Reductase From Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892


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 Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:54.7 occ:1.00 NH1 A:ARG71 3.1 24.7 1.0 NH2 A:ARG71 3.2 27.6 1.0 CG A:GLN36 3.3 41.6 1.0 O A:HOH415 3.3 45.5 1.0 NE2 A:GLN36 3.5 58.6 1.0 CB A:GLN36 3.5 31.0 1.0 CZ A:ARG71 3.6 28.8 1.0 CZ A:PHE32 3.8 33.5 1.0 CE2 A:PHE35 3.8 28.9 1.0 CE1 A:PHE32 3.9 32.3 1.0 CD A:GLN36 3.9 49.5 1.0 CA A:GLN36 3.9 25.5 1.0 CD2 A:PHE35 4.0 29.7 1.0 CD2 A:LEU68 4.3 27.7 1.0 C29 A:HXV202 4.4 32.6 1.0 C28 A:HXV202 4.5 29.6 1.0 N A:GLN36 4.6 23.3 1.0 CE2 A:PHE32 4.7 31.6 1.0 CD1 A:PHE32 4.8 31.5 1.0 NE A:ARG71 4.9 32.1 1.0 CD1 A:LEU68 4.9 21.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Dihydrofolate Reductase From Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892


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 Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:57.6 occ:1.00 NH2 A:ARG138 3.0 27.8 1.0 NH1 A:ARG138 3.4 29.2 1.0 N A:ILE152 3.6 48.5 1.0 CE A:MET15 3.6 34.0 0.5 CZ A:ARG138 3.6 32.1 1.0 CG A:GLU151 3.9 84.5 1.0 CG1 A:ILE152 3.9 30.0 1.0 CB A:ILE152 4.0 37.5 1.0 CD1 A:ILE152 4.1 28.0 1.0 SD A:MET15 4.2 44.7 0.5 CA A:GLU151 4.2 65.8 1.0 CA A:ILE152 4.4 46.1 1.0 C A:GLU151 4.4 49.6 1.0 CB A:GLU151 4.7 77.9 1.0 O A:ILE152 4.9 49.6 1.0 NE A:ARG138 4.9 28.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Dihydrofolate Reductase From Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892


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 Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:75.1 occ:1.00 N A:SER42 3.3 46.1 1.0 O A:THR40 3.4 35.0 1.0 O A:HOH331 3.9 51.7 1.0 O A:HOH353 3.9 41.4 1.0 CB A:SER42 3.9 41.1 1.0 CA A:THR41 4.0 31.8 1.0 C A:THR41 4.1 40.7 1.0 CA A:SER42 4.1 49.5 1.0 O A:SER42 4.3 51.4 1.0 C A:THR40 4.4 34.9 1.0 O A:HOH319 4.5 30.4 1.0 N A:THR41 4.7 27.3 1.0 C A:SER42 4.7 53.9 1.0 CG2 A:THR40 4.8 33.1 1.0 O A:LYS47 5.0 45.2 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 Homo Sapiens Bound to Nadp and Sddc Inhibitor Sddc-892 To Be Published.