Fluorine in PDB 5vew: Structure of the Human Glp-1 Receptor Complex with Pf-06372222

Enzymatic activity of Structure of the Human Glp-1 Receptor Complex with Pf-06372222

All present enzymatic activity of Structure of the Human Glp-1 Receptor Complex with Pf-06372222:
3.2.1.17;

Protein crystallography data

The structure of Structure of the Human Glp-1 Receptor Complex with Pf-06372222, PDB code: 5vew was solved by G.Song, D.Yang, Y.Wang, C.D.Graaf, Q.Zhou, S.Jiang, K.Liu, X.Cai, A.Dai, G.Lin, D.Liu, F.Wu, Y.Wu, S.Zhao, L.Ye, G.W.Han, J.Lau, B.Wu, M.A.Hanson, Z.-J.Liu, M.-W.Wang, R.C.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 64.770, 66.430, 83.440, 90.54, 90.18, 107.73
R / Rfree (%) 22.8 / 24.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of the Human Glp-1 Receptor Complex with Pf-06372222 (pdb code 5vew). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of the Human Glp-1 Receptor Complex with Pf-06372222, PDB code: 5vew:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5vew

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Fluorine binding site 1 out of 6 in the Structure of the Human Glp-1 Receptor Complex with Pf-06372222


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Human Glp-1 Receptor Complex with Pf-06372222 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:94.3
occ:1.00
 F01 A:97Y1201 0.0 94.3 1.0
C21 A:97Y1201 1.4 92.8 1.0
F02 A:97Y1201 2.2 93.6 1.0
F03 A:97Y1201 2.3 92.9 1.0
C18 A:97Y1201 2.4 88.9 1.0
N09 A:97Y1201 2.9 89.2 1.0
CG1 A:VAL331 3.3 81.0 1.0
C22 A:97Y1201 3.7 85.2 1.0
CE1 A:PHE347 3.8 85.6 1.0
CD1 A:LEU335 3.8 88.1 1.0
CG1 A:VAL332 4.0 91.8 1.0
C23 A:97Y1201 4.1 88.6 1.0
CB A:VAL331 4.3 80.4 1.0
CG2 B:ILE286 4.5 89.0 1.0
O25 A:OLC1203 4.5 0.6 1.0
N07 A:97Y1201 4.5 85.9 1.0
CZ A:PHE347 4.6 85.3 1.0
N A:VAL332 4.6 85.1 1.0
CD1 A:PHE347 4.7 83.6 1.0
C A:VAL331 4.8 86.2 1.0
CA A:VAL332 4.8 87.4 1.0
CD1 B:LEU290 4.9 0.9 1.0

Fluorine binding site 2 out of 6 in 5vew

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Fluorine binding site 2 out of 6 in the Structure of the Human Glp-1 Receptor Complex with Pf-06372222


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Human Glp-1 Receptor Complex with Pf-06372222 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:93.6
occ:1.00
 F02 A:97Y1201 0.0 93.6 1.0
C21 A:97Y1201 1.4 92.8 1.0
F01 A:97Y1201 2.2 94.3 1.0
F03 A:97Y1201 2.2 92.9 1.0
C18 A:97Y1201 2.4 88.9 1.0
N09 A:97Y1201 3.2 89.2 1.0
C22 A:97Y1201 3.3 85.2 1.0
CD1 B:ILE286 3.3 88.4 1.0
CG2 B:ILE286 3.5 89.0 1.0
CG1 A:VAL332 3.9 91.8 1.0
CG1 B:ILE286 4.1 85.9 1.0
C23 A:97Y1201 4.3 88.6 1.0
CG2 A:ILE328 4.3 87.8 1.0
N07 A:97Y1201 4.3 85.9 1.0
CB B:ILE286 4.4 86.0 1.0
O25 A:OLC1203 4.9 0.6 1.0

Fluorine binding site 3 out of 6 in 5vew

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Fluorine binding site 3 out of 6 in the Structure of the Human Glp-1 Receptor Complex with Pf-06372222


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the Human Glp-1 Receptor Complex with Pf-06372222 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:92.9
occ:1.00
 F03 A:97Y1201 0.0 92.9 1.0
C21 A:97Y1201 1.4 92.8 1.0
F02 A:97Y1201 2.2 93.6 1.0
F01 A:97Y1201 2.3 94.3 1.0
C18 A:97Y1201 2.4 88.9 1.0
C22 A:97Y1201 2.9 85.2 1.0
N09 A:97Y1201 3.6 89.2 1.0
CG1 A:VAL331 3.7 81.0 1.0
CD1 A:LEU354 3.9 78.9 1.0
CB A:VAL331 4.1 80.4 1.0
N07 A:97Y1201 4.1 85.9 1.0
CG1 A:ILE328 4.3 84.6 1.0
C23 A:97Y1201 4.4 88.6 1.0
CG2 A:ILE328 4.5 87.8 1.0
CA A:ILE328 4.5 82.4 1.0
CB A:ILE328 4.6 85.3 1.0
CG2 A:VAL331 4.7 78.7 1.0
CG1 A:VAL332 4.8 91.8 1.0
CE1 A:PHE347 4.9 85.6 1.0
O A:ILE328 4.9 90.6 1.0

Fluorine binding site 4 out of 6 in 5vew

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Fluorine binding site 4 out of 6 in the Structure of the Human Glp-1 Receptor Complex with Pf-06372222


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the Human Glp-1 Receptor Complex with Pf-06372222 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1202

b:89.6
occ:1.00
 F01 B:97Y1202 0.0 89.6 1.0
C21 B:97Y1202 1.4 89.3 1.0
F02 B:97Y1202 2.2 89.7 1.0
F03 B:97Y1202 2.2 90.7 1.0
C18 B:97Y1202 2.4 85.4 1.0
N09 B:97Y1202 2.9 84.9 1.0
CG1 B:VAL331 3.3 78.7 1.0
C22 B:97Y1202 3.7 81.6 1.0
CE1 B:PHE347 3.8 80.5 1.0
CD1 B:LEU335 3.8 78.3 1.0
CG1 B:VAL332 4.0 86.5 1.0
C23 B:97Y1202 4.1 83.6 1.0
O25 B:OLC1205 4.2 0.2 1.0
CB B:VAL331 4.2 78.0 1.0
N07 B:97Y1202 4.5 80.8 1.0
CZ B:PHE347 4.6 80.3 1.0
N B:VAL332 4.6 80.4 1.0
CD1 B:PHE347 4.7 78.8 1.0
C B:VAL331 4.7 82.5 1.0
C24 B:OLC1205 4.8 0.1 1.0
CA B:VAL332 4.9 82.2 1.0

Fluorine binding site 5 out of 6 in 5vew

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Fluorine binding site 5 out of 6 in the Structure of the Human Glp-1 Receptor Complex with Pf-06372222


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the Human Glp-1 Receptor Complex with Pf-06372222 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1202

b:89.7
occ:1.00
 F02 B:97Y1202 0.0 89.7 1.0
C21 B:97Y1202 1.4 89.3 1.0
F01 B:97Y1202 2.2 89.6 1.0
F03 B:97Y1202 2.2 90.7 1.0
C18 B:97Y1202 2.3 85.4 1.0
N09 B:97Y1202 3.2 84.9 1.0
C22 B:97Y1202 3.3 81.6 1.0
CG1 B:VAL332 3.9 86.5 1.0
C23 B:97Y1202 4.3 83.6 1.0
N07 B:97Y1202 4.3 80.8 1.0
CG2 B:ILE328 4.3 83.7 1.0
O23 B:OLC1203 4.4 0.4 1.0
C24 B:OLC1205 4.7 0.1 1.0
O25 B:OLC1205 4.7 0.2 1.0

Fluorine binding site 6 out of 6 in 5vew

Go back to Fluorine Binding Sites List in 5vew
Fluorine binding site 6 out of 6 in the Structure of the Human Glp-1 Receptor Complex with Pf-06372222


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of the Human Glp-1 Receptor Complex with Pf-06372222 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1202

b:90.7
occ:1.00
 F03 B:97Y1202 0.0 90.7 1.0
C21 B:97Y1202 1.4 89.3 1.0
F02 B:97Y1202 2.2 89.7 1.0
F01 B:97Y1202 2.2 89.6 1.0
C18 B:97Y1202 2.4 85.4 1.0
C22 B:97Y1202 2.9 81.6 1.0
N09 B:97Y1202 3.6 84.9 1.0
CG1 B:VAL331 3.7 78.7 1.0
CD1 B:LEU354 3.9 77.8 1.0
CB B:VAL331 4.1 78.0 1.0
N07 B:97Y1202 4.1 80.8 1.0
CG1 B:ILE328 4.3 80.5 1.0
C23 B:97Y1202 4.4 83.6 1.0
CG2 B:ILE328 4.5 83.7 1.0
CA B:ILE328 4.5 78.8 1.0
CB B:ILE328 4.7 81.4 1.0
CG2 B:VAL331 4.7 76.4 1.0
CG1 B:VAL332 4.8 86.5 1.0
CE1 B:PHE347 4.9 80.5 1.0
O B:ILE328 4.9 86.2 1.0

Reference:

G.Song, D.Yang, Y.Wang, C.De Graaf, Q.Zhou, S.Jiang, K.Liu, X.Cai, A.Dai, G.Lin, D.Liu, F.Wu, Y.Wu, S.Zhao, L.Ye, G.W.Han, J.Lau, B.Wu, M.A.Hanson, Z.J.Liu, M.W.Wang, R.C.Stevens. Human Glp-1 Receptor Transmembrane Domain Structure in Complex with Allosteric Modulators. Nature V. 546 312 2017.
ISSN: ISSN 0028-0836
PubMed: 28514449
DOI: 10.1038/NATURE22378
Page generated: Sun Dec 13 12:40:32 2020

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