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Chlorine in PDB 5f1u: Biomimetic Design Results in A Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase From Campylobacter Jejuni

Enzymatic activity of Biomimetic Design Results in A Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase From Campylobacter Jejuni

All present enzymatic activity of Biomimetic Design Results in A Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase From Campylobacter Jejuni:
4.3.3.7;

Protein crystallography data

The structure of Biomimetic Design Results in A Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase From Campylobacter Jejuni, PDB code: 5f1u was solved by C.J.T.Conly, D.R.J.Palmer, D.A.R.Sanders, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.39 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.590, 96.780, 145.980, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 22.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Biomimetic Design Results in A Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase From Campylobacter Jejuni (pdb code 5f1u). 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 Biomimetic Design Results in A Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase From Campylobacter Jejuni, PDB code: 5f1u:

Chlorine binding site 1 out of 1 in 5f1u

Go back to Chlorine Binding Sites List in 5f1u
Chlorine binding site 1 out of 1 in the Biomimetic Design Results in A Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Biomimetic Design Results in A Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:73.4
occ:1.00
 N B:THR47 2.9 35.9 1.0
N B:THR48 3.4 29.7 1.0
NZ B:LYS166 3.5 25.6 1.0
CB B:THR47 3.5 36.6 1.0
CA B:THR47 3.6 33.7 1.0
C B:GLY46 3.6 41.3 1.0
OG1 B:THR48 3.7 29.4 1.0
CA B:GLY46 3.8 36.9 1.0
CB B:ALA12 3.8 24.4 1.0
OG1 B:THR47 3.8 41.0 1.0
C B:THR47 4.0 30.7 1.0
OH B:TYR137 4.2 38.4 1.0
O B:HOH408 4.3 39.8 1.0
CB B:THR48 4.3 28.9 1.0
CE2 B:TYR137 4.4 30.5 1.0
CA B:THR48 4.5 28.1 1.0
CZ B:TYR137 4.6 33.3 1.0
N B:GLY46 4.7 40.3 1.0
O B:GLY46 4.7 45.1 1.0
CD2 B:LEU105 4.8 27.2 1.0
CG2 B:THR47 4.9 35.4 1.0
CE B:LYS166 5.0 24.3 1.0
CA B:ALA12 5.0 26.7 1.0

Reference:

Y.V.Skovpen, C.J.Conly, D.A.Sanders, D.R.Palmer. Biomimetic Design Results in A Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase From Campylobacter Jejuni. J.Am.Chem.Soc. V. 138 2014 2016.
ISSN: ESSN 1520-5126
PubMed: 26836694
DOI: 10.1021/JACS.5B12695
Page generated: Sat Dec 12 11:42:38 2020

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