Atomistry » Chlorine » PDB 4kwt-4lb4 » 4lag
Atomistry »
  Chlorine »
    PDB 4kwt-4lb4 »
      4lag »

Chlorine in PDB 4lag: Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-Yl)-2,4-Diaminoquinazolines

Enzymatic activity of Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-Yl)-2,4-Diaminoquinazolines

All present enzymatic activity of Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-Yl)-2,4-Diaminoquinazolines:
1.5.1.3;

Protein crystallography data

The structure of Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-Yl)-2,4-Diaminoquinazolines, PDB code: 4lag was solved by M.T.Hilgers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.55 / 1.70
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 79.302, 79.302, 107.206, 90.00, 90.00, 120.00
R / Rfree (%) 19.6 / 21.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-Yl)-2,4-Diaminoquinazolines (pdb code 4lag). 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-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-Yl)-2,4-Diaminoquinazolines, PDB code: 4lag:

Chlorine binding site 1 out of 1 in 4lag

Go back to Chlorine Binding Sites List in 4lag
Chlorine binding site 1 out of 1 in the Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-Yl)-2,4-Diaminoquinazolines


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-Yl)-2,4-Diaminoquinazolines within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Cl202

b:18.0
occ:1.00
 CL1 X:1VN202 0.0 18.0 1.0
C8 X:1VN202 1.8 17.3 1.0
C7 X:1VN202 2.7 17.3 1.0
C9 X:1VN202 2.8 18.1 1.0
N14 X:1VN202 3.1 18.5 1.0
C18 X:1VN202 3.3 19.8 1.0
CE2 X:PHE93 3.3 21.3 1.0
C25 X:1VN202 3.4 19.6 1.0
N29 X:1VN202 3.4 18.0 1.0
CG2 X:ILE51 3.5 27.1 1.0
CG2 X:THR47 3.7 17.6 1.0
CD2 X:PHE93 3.9 21.2 1.0
CZ X:PHE93 3.9 21.2 1.0
C15 X:1VN202 3.9 20.0 1.0
C6 X:1VN202 4.0 16.9 1.0
C10 X:1VN202 4.1 17.4 1.0
C28 X:1VN202 4.2 17.6 1.0
N17 X:1VN202 4.2 20.1 1.0
C5N X:NAP201 4.4 16.0 1.0
S26 X:1VN202 4.4 19.3 1.0
C5 X:1VN202 4.6 16.5 1.0
C16 X:1VN202 4.6 20.5 1.0
O X:PHE93 4.7 16.4 1.0
C19 X:1VN202 4.7 20.3 1.0
C4N X:NAP201 4.7 15.8 1.0
C27 X:1VN202 4.7 19.3 1.0
CE1 X:PHE93 4.8 20.4 1.0
CG X:PHE93 4.8 19.3 1.0
CB X:ILE51 4.9 27.0 1.0
CD1 X:ILE51 5.0 27.7 1.0

Reference:

T.Lam, M.T.Hilgers, M.L.Cunningham, B.P.Kwan, K.J.Nelson, V.Brown-Driver, V.Ong, M.Trzoss, G.Hough, K.J.Shaw, J.Finn. Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-Yl)-2,4-Diaminoquinazolines. J.Med.Chem. V. 57 651 2014.
ISSN: ISSN 0022-2623
PubMed: 24428639
DOI: 10.1021/JM401204G
Page generated: Sun Jul 21 18:46:31 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy