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Fluorine in PDB 5dg5: Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157

Enzymatic activity of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157

All present enzymatic activity of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157, PDB code: 5dg5 was solved by B.D.Smith, M.D.Kaufman, C.B.Leary, B.A.Turner, S.A.Wise, Y.M.Ahn, R.J.Booth, T.M.Caldwell, C.L.Ensinger, M.M.Hood, W.-P.Lu, T.W.Patt, W.C.Patt, T.J.Rutkoski, T.Samarakoon, H.Telikepalli, L.Vogeti, S.Vogeti, K.M.Yates, L.Chun, L.J.Stewart, M.Clare, D.L.Flynn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.65 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 37.130, 115.880, 90.160, 90.00, 92.92, 90.00
R / Rfree (%) 20.4 / 24.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157 (pdb code 5dg5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157, PDB code: 5dg5:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5dg5

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Fluorine binding site 1 out of 6 in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157


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 the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1401

b:37.6
occ:1.00
 F37 A:5B41401 0.0 37.6 1.0
C34 A:5B41401 1.4 36.6 1.0
C35 A:5B41401 2.4 36.9 1.0
C33 A:5B41401 2.4 34.8 1.0
CD1 A:LEU1195 3.4 35.8 1.0
CG1 A:VAL1139 3.5 27.9 1.0
CD2 A:LEU1195 3.6 34.7 1.0
C36 A:5B41401 3.6 37.1 1.0
C32 A:5B41401 3.6 34.9 1.0
CE2 A:PHE1134 3.8 35.2 1.0
CD2 A:PHE1134 3.9 35.4 1.0
CG A:LEU1195 4.1 34.2 1.0
C31 A:5B41401 4.1 35.2 1.0
O A:VAL1220 4.3 25.3 1.0
CE2 A:PHE1200 4.4 37.6 1.0
CB A:VAL1139 4.6 28.0 1.0
CG1 A:VAL1220 4.6 27.1 1.0
CG2 A:VAL1139 4.7 29.2 1.0
C A:VAL1220 4.7 26.6 1.0
CD2 A:HIS1202 4.8 44.1 1.0
CD2 A:PHE1200 4.8 37.7 1.0
CZ A:PHE1200 4.9 38.0 1.0
CZ A:PHE1134 4.9 34.6 1.0
CA A:ALA1221 4.9 29.2 1.0
CG A:PHE1134 5.0 36.5 1.0

Fluorine binding site 2 out of 6 in 5dg5

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Fluorine binding site 2 out of 6 in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157


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 the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1401

b:33.1
occ:1.00
 F7 A:5B41401 0.0 33.1 1.0
C1 A:5B41401 1.3 31.5 1.0
C2 A:5B41401 2.3 31.9 1.0
C6 A:5B41401 2.4 32.0 1.0
O9 A:5B41401 2.7 32.4 1.0
CG1 A:VAL1092 3.3 33.8 1.0
CG2 A:VAL1092 3.6 35.7 1.0
C3 A:5B41401 3.6 31.7 1.0
C5 A:5B41401 3.6 31.2 1.0
CB A:LYS1110 3.7 32.5 1.0
CD1 A:LEU1157 3.7 33.3 1.0
CE1 A:PHE1223 3.9 34.4 1.0
C10 A:5B41401 3.9 32.9 1.0
CD A:LYS1110 4.0 36.5 1.0
CB A:VAL1092 4.0 34.8 1.0
C4 A:5B41401 4.1 31.2 1.0
CG A:LYS1110 4.2 35.0 1.0
CD1 A:PHE1223 4.3 34.0 1.0
C15 A:5B41401 4.5 31.9 1.0
O24 A:5B41401 4.5 32.7 1.0
CA A:LYS1110 4.6 30.6 1.0
N22 A:5B41401 4.8 31.6 1.0
CZ A:PHE1223 4.9 35.7 1.0
N A:LYS1110 4.9 28.2 1.0
CB A:ALA1108 4.9 30.9 1.0
C11 A:5B41401 4.9 32.7 1.0

Fluorine binding site 3 out of 6 in 5dg5

Go back to Fluorine Binding Sites List in 5dg5
Fluorine binding site 3 out of 6 in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1401

b:32.9
occ:1.00
 F8 A:5B41401 0.0 32.9 1.0
C4 A:5B41401 1.3 31.2 1.0
C3 A:5B41401 2.4 31.7 1.0
C5 A:5B41401 2.4 31.2 1.0
N22 A:5B41401 2.7 31.6 1.0
CD2 A:LEU1140 3.1 28.9 1.0
CB A:ALA1221 3.2 29.9 1.0
O27 A:5B41401 3.5 37.5 1.0
C2 A:5B41401 3.6 31.9 1.0
C6 A:5B41401 3.7 32.0 1.0
CB A:PHE1223 3.7 33.4 1.0
CA A:PHE1223 3.8 33.3 1.0
N A:PHE1223 3.9 35.2 1.0
C23 A:5B41401 4.1 32.2 1.0
CG A:PHE1223 4.1 33.5 1.0
C1 A:5B41401 4.1 31.5 1.0
CD1 A:PHE1223 4.3 34.0 1.0
CG A:MET1211 4.3 36.4 1.0
N A:ASP1222 4.3 34.1 1.0
CA A:ALA1221 4.4 29.2 1.0
SD A:MET1211 4.5 40.3 1.0
C A:ASP1222 4.5 36.6 1.0
C26 A:5B41401 4.5 34.4 1.0
CG A:LEU1140 4.5 29.1 1.0
C A:ALA1221 4.8 31.4 1.0
O9 A:5B41401 4.8 32.4 1.0
C25 A:5B41401 4.9 33.8 1.0
O24 A:5B41401 4.9 32.7 1.0
CD2 A:PHE1223 4.9 34.5 1.0
CB A:LEU1140 4.9 28.8 1.0
CD1 A:LEU1157 5.0 33.3 1.0

Fluorine binding site 4 out of 6 in 5dg5

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Fluorine binding site 4 out of 6 in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1401

b:40.2
occ:1.00
 F37 B:5B41401 0.0 40.2 1.0
C34 B:5B41401 1.3 35.6 1.0
C33 B:5B41401 2.4 33.5 1.0
C35 B:5B41401 2.4 36.5 1.0
CD1 B:LEU1195 3.4 30.9 1.0
CG1 B:VAL1139 3.4 25.9 1.0
C32 B:5B41401 3.6 34.7 1.0
C36 B:5B41401 3.6 35.6 1.0
CD2 B:LEU1195 3.6 32.9 1.0
CE2 B:PHE1134 3.9 36.1 1.0
CD2 B:PHE1134 4.0 36.0 1.0
CG B:LEU1195 4.1 31.5 1.0
C31 B:5B41401 4.1 34.3 1.0
O B:VAL1220 4.2 23.6 1.0
CE2 B:PHE1200 4.4 38.1 1.0
CG1 B:VAL1220 4.5 24.1 1.0
CB B:VAL1139 4.6 26.3 1.0
C B:VAL1220 4.6 25.2 1.0
CG2 B:VAL1139 4.6 25.9 1.0
CD2 B:HIS1202 4.8 35.0 1.0
CA B:ALA1221 4.8 28.4 1.0
N B:ALA1221 4.9 26.4 1.0
CD2 B:PHE1200 4.9 37.7 1.0
CB B:VAL1220 4.9 24.4 1.0
CZ B:PHE1200 5.0 36.0 1.0

Fluorine binding site 5 out of 6 in 5dg5

Go back to Fluorine Binding Sites List in 5dg5
Fluorine binding site 5 out of 6 in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1401

b:32.2
occ:1.00
 F7 B:5B41401 0.0 32.2 1.0
C1 B:5B41401 1.3 31.4 1.0
C2 B:5B41401 2.4 31.3 1.0
C6 B:5B41401 2.4 30.5 1.0
O9 B:5B41401 2.7 31.3 1.0
CG1 B:VAL1092 3.3 41.2 1.0
CD1 B:LEU1157 3.6 36.5 1.0
C3 B:5B41401 3.6 30.4 1.0
C5 B:5B41401 3.6 30.8 1.0
CG2 B:VAL1092 3.6 40.8 1.0
CB B:LYS1110 3.7 36.9 1.0
C10 B:5B41401 3.9 30.8 1.0
CE1 B:PHE1223 4.0 34.6 1.0
CD B:LYS1110 4.1 38.8 1.0
CB B:VAL1092 4.1 41.2 1.0
C4 B:5B41401 4.1 30.4 1.0
CG B:LYS1110 4.3 37.0 1.0
CD1 B:PHE1223 4.3 34.8 1.0
C15 B:5B41401 4.4 29.6 1.0
CA B:LYS1110 4.5 36.3 1.0
O24 B:5B41401 4.6 32.0 1.0
N B:LYS1110 4.8 34.1 1.0
CB B:ALA1108 4.8 34.6 1.0
N22 B:5B41401 4.8 32.3 1.0
CZ B:PHE1223 4.9 34.3 1.0
C11 B:5B41401 5.0 30.4 1.0

Fluorine binding site 6 out of 6 in 5dg5

Go back to Fluorine Binding Sites List in 5dg5
Fluorine binding site 6 out of 6 in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with Altiratinib Analog Dp- 4157 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1401

b:30.9
occ:1.00
 F8 B:5B41401 0.0 30.9 1.0
C4 B:5B41401 1.3 30.4 1.0
C3 B:5B41401 2.4 30.4 1.0
C5 B:5B41401 2.4 30.8 1.0
N22 B:5B41401 2.7 32.3 1.0
CB B:ALA1221 3.2 29.4 1.0
CD2 B:LEU1140 3.3 30.3 1.0
CB B:PHE1223 3.5 34.3 1.0
O27 B:5B41401 3.5 33.0 1.0
CA B:PHE1223 3.6 33.8 1.0
C2 B:5B41401 3.6 31.3 1.0
C6 B:5B41401 3.7 30.5 1.0
N B:PHE1223 3.7 35.7 1.0
CG B:PHE1223 4.0 35.3 1.0
C23 B:5B41401 4.1 32.8 1.0
C1 B:5B41401 4.1 31.4 1.0
CD1 B:PHE1223 4.2 34.8 1.0
N B:ASP1222 4.2 31.8 1.0
CG B:MET1211 4.4 34.4 1.0
C B:ASP1222 4.4 34.7 1.0
CA B:ALA1221 4.4 28.4 1.0
SD B:MET1211 4.4 36.7 1.0
C26 B:5B41401 4.5 33.5 1.0
C B:ALA1221 4.7 29.4 1.0
CG B:LEU1140 4.7 29.3 1.0
O9 B:5B41401 4.8 31.3 1.0
CD2 B:PHE1223 4.8 34.4 1.0
C25 B:5B41401 4.8 33.4 1.0
O B:ASP1222 4.9 36.5 1.0
O24 B:5B41401 4.9 32.0 1.0
CA B:ASP1222 5.0 34.6 1.0

Reference:

B.D.Smith, M.D.Kaufman, C.B.Leary, B.A.Turner, S.C.Wise, Y.M.Ahn, R.J.Booth, T.M.Caldwell, C.L.Ensinger, M.M.Hood, W.P.Lu, T.W.Patt, W.C.Patt, T.J.Rutkoski, T.Samarakoon, H.Telikepalli, L.Vogeti, S.Vogeti, K.M.Yates, L.Chun, L.J.Stewart, M.Clare, D.L.Flynn. Altiratinib Inhibits Tumor Growth, Invasion, Angiogenesis, and Microenvironment-Mediated Drug Resistance Via Balanced Inhibition of Met, TIE2, and VEGFR2. Mol.Cancer Ther. V. 14 2023 2015.
ISSN: ESSN 1538-8514
PubMed: 26285778
DOI: 10.1158/1535-7163.MCT-14-1105
Page generated: Thu Aug 1 08:44:54 2024

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