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Fluorine in PDB 4dxd: Staphylococcal Aureus Ftsz in Complex with 723

Protein crystallography data

The structure of Staphylococcal Aureus Ftsz in Complex with 723, PDB code: 4dxd was solved by J.Lu, S.M.Soisson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.46 / 2.01
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 67.715, 54.650, 84.496, 90.00, 106.75, 90.00
R / Rfree (%) 18.8 / 22.2

Other elements in 4dxd:

The structure of Staphylococcal Aureus Ftsz in Complex with 723 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Staphylococcal Aureus Ftsz in Complex with 723 (pdb code 4dxd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Staphylococcal Aureus Ftsz in Complex with 723, PDB code: 4dxd:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4dxd

Go back to Fluorine Binding Sites List in 4dxd
Fluorine binding site 1 out of 2 in the Staphylococcal Aureus Ftsz in Complex with 723


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Staphylococcal Aureus Ftsz in Complex with 723 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:37.4
occ:1.00
F1 A:9PC402 0.0 37.4 1.0
C13 A:9PC402 1.3 38.2 1.0
C1 A:9PC402 2.4 38.9 1.0
C5 A:9PC402 2.4 39.8 1.0
O1 A:9PC402 2.7 43.3 1.0
C A:9PC402 2.8 36.8 1.0
N A:9PC402 3.0 31.4 1.0
OD1 A:ASN263 3.0 28.7 1.0
CG A:ASN263 3.0 39.2 1.0
CB A:ASN263 3.2 24.8 1.0
CD1 A:LEU200 3.4 35.9 1.0
CG A:LEU200 3.6 33.5 1.0
CD1 A:LEU209 3.6 32.4 1.0
C2 A:9PC402 3.6 40.7 1.0
C4 A:9PC402 3.7 37.7 1.0
O A:9PC402 3.7 35.9 1.0
CB A:LEU209 3.7 29.3 1.0
ND2 A:ASN263 3.8 28.0 1.0
CG A:LEU209 4.0 32.1 1.0
CB A:LEU200 4.1 28.9 1.0
C6 A:9PC402 4.1 49.4 1.0
C3 A:9PC402 4.1 38.8 1.0
CA A:LEU200 4.4 29.4 1.0
CA A:ASN263 4.5 22.3 1.0
F A:9PC402 4.7 41.7 1.0
CG2 A:VAL297 4.8 33.6 1.0
S A:9PC402 4.8 57.9 1.0
CA A:LEU209 4.9 29.6 1.0
CD2 A:LEU200 4.9 33.4 1.0
C7 A:9PC402 5.0 54.2 1.0
CA A:GLY295 5.0 25.1 1.0

Fluorine binding site 2 out of 2 in 4dxd

Go back to Fluorine Binding Sites List in 4dxd
Fluorine binding site 2 out of 2 in the Staphylococcal Aureus Ftsz in Complex with 723


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Staphylococcal Aureus Ftsz in Complex with 723 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:41.7
occ:1.00
F A:9PC402 0.0 41.7 1.0
C2 A:9PC402 1.3 40.7 1.0
C1 A:9PC402 2.4 38.9 1.0
C3 A:9PC402 2.4 38.8 1.0
C A:9PC402 2.8 36.8 1.0
O A:9PC402 2.9 35.9 1.0
O A:VAL203 3.1 31.3 1.0
CB A:VAL203 3.3 36.5 1.0
CG2 A:VAL297 3.3 33.6 1.0
CG1 A:VAL203 3.4 35.2 1.0
C A:VAL203 3.5 34.8 1.0
N A:GLY205 3.5 31.2 1.0
C13 A:9PC402 3.6 38.2 1.0
C4 A:9PC402 3.7 37.7 1.0
CA A:GLY205 3.7 29.8 1.0
CG1 A:VAL297 3.7 34.8 1.0
O A:HOH515 3.8 19.0 1.0
N A:9PC402 3.8 31.4 1.0
CA A:VAL203 4.0 32.9 1.0
C A:SER204 4.1 37.0 1.0
CB A:VAL297 4.1 33.8 1.0
C5 A:9PC402 4.1 39.8 1.0
N A:SER204 4.3 32.9 1.0
O A:LEU200 4.5 32.2 1.0
O A:ASP199 4.5 32.4 1.0
CG2 A:VAL203 4.5 36.6 1.0
O A:SER204 4.6 37.9 1.0
CA A:SER204 4.6 33.2 1.0
N A:VAL203 4.7 34.0 1.0
CA A:LEU200 4.7 29.4 1.0
F1 A:9PC402 4.7 37.4 1.0
OD1 A:ASN208 4.7 29.6 1.0

Reference:

C.M.Tan, A.G.Therien, J.Lu, S.H.Lee, A.Caron, C.J.Gill, C.Lebeau-Jacob, L.Benton-Perdomo, J.M.Monteiro, P.M.Pereira, N.L.Elsen, J.Wu, K.Deschamps, M.Petcu, S.Wong, E.Daigneault, S.Kramer, L.Liang, E.Maxwell, D.Claveau, J.Vaillancourt, K.Skorey, J.Tam, H.Wang, T.C.Meredith, S.Sillaots, L.Wang-Jarantow, Y.Ramtohul, E.Langlois, F.Landry, J.C.Reid, G.Parthasarathy, S.Sharma, A.Baryshnikova, K.J.Lumb, M.G.Pinho, S.M.Soisson, T.Roemer. Restoring Methicillin-Resistant Staphylococcus Aureus Susceptibility to Beta-Lactam Antibiotics. Sci Transl Med V. 4 6RA35 2012.
ISSN: ISSN 1946-6234
PubMed: 22440737
DOI: 10.1126/SCITRANSLMED.3003592
Page generated: Sun Dec 13 12:01:43 2020

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