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Chlorine in PDB 5v7a: E. Coli Dihydropteroate Synthase Complexed with An 8-Mercaptoguanine Derivative: 2-((2-Amino-9-Methyl-6-Oxo-6,9-Dihydro-1H-Purin-8-Yl) Thio)Acetic Acid

Enzymatic activity of E. Coli Dihydropteroate Synthase Complexed with An 8-Mercaptoguanine Derivative: 2-((2-Amino-9-Methyl-6-Oxo-6,9-Dihydro-1H-Purin-8-Yl) Thio)Acetic Acid

All present enzymatic activity of E. Coli Dihydropteroate Synthase Complexed with An 8-Mercaptoguanine Derivative: 2-((2-Amino-9-Methyl-6-Oxo-6,9-Dihydro-1H-Purin-8-Yl) Thio)Acetic Acid:
2.5.1.15;

Protein crystallography data

The structure of E. Coli Dihydropteroate Synthase Complexed with An 8-Mercaptoguanine Derivative: 2-((2-Amino-9-Methyl-6-Oxo-6,9-Dihydro-1H-Purin-8-Yl) Thio)Acetic Acid, PDB code: 5v7a was solved by M.L.Dennis, T.S.Peat, J.D.Swarbrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.72 / 2.35
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 95.270, 84.830, 83.780, 90.00, 109.23, 90.00
R / Rfree (%) 19.6 / 24.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the E. Coli Dihydropteroate Synthase Complexed with An 8-Mercaptoguanine Derivative: 2-((2-Amino-9-Methyl-6-Oxo-6,9-Dihydro-1H-Purin-8-Yl) Thio)Acetic Acid (pdb code 5v7a). 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 E. Coli Dihydropteroate Synthase Complexed with An 8-Mercaptoguanine Derivative: 2-((2-Amino-9-Methyl-6-Oxo-6,9-Dihydro-1H-Purin-8-Yl) Thio)Acetic Acid, PDB code: 5v7a:

Chlorine binding site 1 out of 1 in 5v7a

Go back to Chlorine Binding Sites List in 5v7a
Chlorine binding site 1 out of 1 in the E. Coli Dihydropteroate Synthase Complexed with An 8-Mercaptoguanine Derivative: 2-((2-Amino-9-Methyl-6-Oxo-6,9-Dihydro-1H-Purin-8-Yl) Thio)Acetic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Coli Dihydropteroate Synthase Complexed with An 8-Mercaptoguanine Derivative: 2-((2-Amino-9-Methyl-6-Oxo-6,9-Dihydro-1H-Purin-8-Yl) Thio)Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:36.4
occ:1.00
 N B:GLU90 3.2 29.0 1.0
OE1 B:GLU90 3.6 37.5 1.0
CB B:PHE89 3.9 29.0 1.0
CA B:PHE89 3.9 33.2 1.0
CD1 B:PHE89 4.0 28.4 1.0
N B:VAL91 4.0 30.7 1.0
C B:PHE89 4.1 33.3 1.0
CG2 B:ILE48 4.1 22.9 1.0
CA B:GLU90 4.1 33.2 1.0
CB B:GLU90 4.1 33.4 1.0
CG B:PHE89 4.5 30.2 1.0
CG B:GLU90 4.5 35.8 1.0
CD B:GLU90 4.5 47.9 1.0
C B:GLU90 4.5 32.1 1.0
CD1 B:ILE48 4.6 27.1 1.0
CB B:VAL91 4.9 28.6 1.0

Reference:

M.L.Dennis, M.D.Lee, J.R.Harjani, M.Ahmed, A.J.Debono, N.P.Pitcher, Z.C.Wang, S.Chhabra, N.Barlow, R.Rahmani, B.Cleary, O.Dolezal, M.Hattarki, L.Aurelio, J.Shonberg, B.Graham, T.S.Peat, J.B.Baell, J.D.Swarbrick. 8-Mercaptoguanine Derivatives As Inhibitors of Dihydropteroate Synthase. Chemistry V. 24 1922 2018.
ISSN: ISSN 1521-3765
PubMed: 29171692
DOI: 10.1002/CHEM.201704730
Page generated: Fri Jul 26 18:39:10 2024

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