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Fluorine in PDB 4iiz: Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib

Protein crystallography data

The structure of Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib, PDB code: 4iiz was solved by L.M.T.R.Lima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.68 / 2.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 41.880, 83.000, 62.950, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 24

Other elements in 4iiz:

The structure of Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib (pdb code 4iiz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib, PDB code: 4iiz:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4iiz

Go back to Fluorine Binding Sites List in 4iiz
Fluorine binding site 1 out of 2 in the Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:39.3
occ:0.50
FAD A:LUR201 0.0 39.3 0.5
CAP A:LUR201 1.3 34.2 0.5
CAG A:LUR201 2.3 34.9 0.5
CAT A:LUR201 2.4 36.5 0.5
CAJ A:LUR201 2.8 51.2 0.5
NAM A:LUR201 2.9 41.6 0.5
CB A:ALA108 3.2 20.3 1.0
CAS A:LUR201 3.3 46.9 0.5
CAF A:LUR201 3.6 33.2 0.5
CAQ A:LUR201 3.7 35.6 0.5
CAI A:LUR201 3.9 54.3 0.5
CAH A:LUR201 4.1 36.6 0.5
CB A:THR119 4.4 21.5 1.0
CG2 A:THR119 4.4 19.5 1.0
O A:HOH325 4.7 22.9 1.0
CA A:ALA108 4.7 21.6 1.0
CAR A:LUR201 4.7 47.2 0.5
OG1 A:THR119 4.7 25.5 1.0
CG2 A:VAL121 5.0 26.2 1.0

Fluorine binding site 2 out of 2 in 4iiz

Go back to Fluorine Binding Sites List in 4iiz
Fluorine binding site 2 out of 2 in the Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Wild-Type Human Transthyretin in Complex with Lumiracoxib within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:34.1
occ:0.50
FAD B:LUR201 0.0 34.1 0.5
CAP B:LUR201 1.4 39.9 0.5
CAT B:LUR201 2.4 38.7 0.5
CAG B:LUR201 2.4 41.5 0.5
NAM B:LUR201 2.6 41.9 0.5
OAB B:LUR201 3.1 37.6 0.5
CAQ B:LUR201 3.7 41.4 0.5
CAF B:LUR201 3.7 42.1 0.5
CAL B:LUR201 3.7 42.1 0.5
CAN B:LUR201 3.8 40.0 0.5
CAS B:LUR201 3.8 45.0 0.5
CG2 B:VAL121 4.0 28.6 1.0
CAH B:LUR201 4.2 41.5 0.5
CB B:ALA108 4.2 21.7 1.0
CAR B:LUR201 4.3 45.1 0.5
CG2 B:THR106 5.0 25.2 1.0
CAJ B:LUR201 5.0 39.1 0.5

Reference:

L.M.T.R.Lima, L.M.T.R.Lima. N/A N/A.
Page generated: Sun Dec 13 12:04:30 2020

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