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Chlorine in PDB 9dar: Structure of E. Coli Dihydrofolate Reductase (Dhfr) in An Occluded Conformation and in Complex with Cycloguanil

Enzymatic activity of Structure of E. Coli Dihydrofolate Reductase (Dhfr) in An Occluded Conformation and in Complex with Cycloguanil

All present enzymatic activity of Structure of E. Coli Dihydrofolate Reductase (Dhfr) in An Occluded Conformation and in Complex with Cycloguanil:
1.5.1.3;

Protein crystallography data

The structure of Structure of E. Coli Dihydrofolate Reductase (Dhfr) in An Occluded Conformation and in Complex with Cycloguanil, PDB code: 9dar was solved by D.A.Berkovich, J.M.Jez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.49 / 2.17
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 68.076, 68.076, 212.602, 90, 90, 120
R / Rfree (%) 21 / 25.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of E. Coli Dihydrofolate Reductase (Dhfr) in An Occluded Conformation and in Complex with Cycloguanil (pdb code 9dar). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of E. Coli Dihydrofolate Reductase (Dhfr) in An Occluded Conformation and in Complex with Cycloguanil, PDB code: 9dar:

Chlorine binding site 1 out of 1 in 9dar

Go back to Chlorine Binding Sites List in 9dar
Chlorine binding site 1 out of 1 in the Structure of E. Coli Dihydrofolate Reductase (Dhfr) in An Occluded Conformation and in Complex with Cycloguanil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of E. Coli Dihydrofolate Reductase (Dhfr) in An Occluded Conformation and in Complex with Cycloguanil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:58.9
occ:1.00
 CL17 A:1CY201 0.0 58.9 1.0
C14 A:1CY201 1.7 48.5 1.0
C13 A:1CY201 2.7 43.5 1.0
C15 A:1CY201 2.7 48.4 1.0
CG2 A:THR46 3.3 41.5 1.0
CG2 A:ILE50 3.8 52.4 1.0
CG A:MET16 3.9 79.8 1.0
C12 A:1CY201 4.0 46.6 1.0
C16 A:1CY201 4.0 48.8 1.0
CD1 A:ILE50 4.0 45.4 1.0
CD1 A:ILE94 4.0 37.1 1.0
O A:THR46 4.3 45.0 1.0
CG1 A:ILE50 4.4 52.3 1.0
C11 A:1CY201 4.5 45.0 1.0
CB A:THR46 4.8 47.6 1.0
OG A:SER49 4.8 57.2 1.0
CB A:ILE50 4.8 54.2 1.0
SD A:MET16 4.9 83.1 1.0
C A:THR46 4.9 48.2 1.0
SD A:MET42 4.9 41.2 1.0
CG1 A:ILE94 5.0 37.6 1.0
CD2 A:LEU54 5.0 49.9 1.0

Reference:

J.D.Georgiades, D.A.Berkovich, S.R.Mckee, A.R.Smith, B.Sankaran, K.N.Flentie, C.H.Castaneda, D.G.Grohmann, R.Rohatgi, C.Lasky, T.A.Mason, J.E.Champine, P.A.Miller, U.Mollmann, G.C.Moraski, S.G.Franzblau, M.J.Miller, C.L.Stallings, J.M.Jez, B.A.Hathaway, T.A.Wencewicz. Expanding the Landscape of Dual Action Antifolate Antibacterials Through 2,4-Diamino-1,6-Dihydro-1,3,5-Triazines. Acs Infect Dis. 2025.
ISSN: ESSN 2373-8227
PubMed: 39950956
DOI: 10.1021/ACSINFECDIS.4C00768
Page generated: Sun Jul 13 16:15:39 2025

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