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Fluorine in PDB 4n98: E. Coli Sliding Clamp in Complex with 4'-Fluorobiphenyl-4-Carboxylic Acid

Enzymatic activity of E. Coli Sliding Clamp in Complex with 4'-Fluorobiphenyl-4-Carboxylic Acid

All present enzymatic activity of E. Coli Sliding Clamp in Complex with 4'-Fluorobiphenyl-4-Carboxylic Acid:
2.7.7.7;

Protein crystallography data

The structure of E. Coli Sliding Clamp in Complex with 4'-Fluorobiphenyl-4-Carboxylic Acid, PDB code: 4n98 was solved by Z.Yin, A.J.Oakley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.17 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.900, 67.160, 81.060, 90.00, 114.11, 90.00
R / Rfree (%) 25.6 / 29.6

Other elements in 4n98:

The structure of E. Coli Sliding Clamp in Complex with 4'-Fluorobiphenyl-4-Carboxylic Acid also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Calcium (Ca) 9 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the E. Coli Sliding Clamp in Complex with 4'-Fluorobiphenyl-4-Carboxylic Acid (pdb code 4n98). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the E. Coli Sliding Clamp in Complex with 4'-Fluorobiphenyl-4-Carboxylic Acid, PDB code: 4n98:

Fluorine binding site 1 out of 1 in 4n98

Go back to Fluorine Binding Sites List in 4n98
Fluorine binding site 1 out of 1 in the E. Coli Sliding Clamp in Complex with 4'-Fluorobiphenyl-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of E. Coli Sliding Clamp in Complex with 4'-Fluorobiphenyl-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:36.6
occ:0.80
 F1 A:4FC401 0.0 36.6 0.8
C2 A:4FC401 1.4 34.1 0.8
C1 A:4FC401 2.4 32.7 0.8
C3 A:4FC401 2.4 34.3 0.8
CG A:MET362 3.2 25.4 0.5
CG1 A:VAL360 3.4 18.9 1.0
SD A:MET362 3.5 28.8 0.5
O A:HIS175 3.6 21.1 1.0
CG1 A:VAL247 3.6 23.9 1.0
C6 A:4FC401 3.7 32.8 0.8
C4 A:4FC401 3.7 33.6 0.8
N A:MET362 3.7 20.2 1.0
OG A:SER346 3.7 22.2 1.0
O A:VAL360 3.8 18.9 1.0
C A:VAL360 4.1 18.0 1.0
C A:VAL361 4.1 18.2 1.0
C A:HIS175 4.1 19.8 1.0
CB A:VAL360 4.2 18.1 1.0
C5 A:4FC401 4.2 33.1 0.8
CB A:MET362 4.2 23.6 0.5
CA A:MET362 4.2 21.6 0.5
CA A:MET362 4.2 20.7 0.5
CB A:MET362 4.2 21.3 0.5
CA A:ARG176 4.3 17.6 1.0
N A:VAL361 4.4 17.3 1.0
CA A:VAL361 4.4 17.1 1.0
N A:ARG176 4.5 18.4 1.0
CB A:SER346 4.5 19.2 1.0
N A:LEU177 4.7 14.9 1.0
C A:ARG176 4.7 16.7 1.0
O A:VAL361 4.8 18.7 1.0
CA A:VAL360 4.8 17.4 1.0
CB A:VAL247 5.0 24.8 1.0

Reference:

Z.Yin, L.R.Whittell, Y.Wang, S.Jergic, M.Liu, E.J.Harry, N.E.Dixon, J.L.Beck, M.J.Kelso, A.J.Oakley. Discovery of Lead Compounds Targeting the Bacterial Sliding Clamp Using A Fragment-Based Approach. J.Med.Chem. V. 57 2799 2014.
ISSN: ISSN 0022-2623
PubMed: 24592885
DOI: 10.1021/JM500122R
Page generated: Thu Aug 1 04:09:29 2024

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