Atomistry » Fluorine » PDB 5ddf-5dy7 » 5dg5
Atomistry »
  Fluorine »
    PDB 5ddf-5dy7 »
      5dg5 »

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

Go back to Fluorine Binding Sites List in 5dg5
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

Go back to Fluorine Binding Sites List in 5dg5
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

Go back to Fluorine Binding Sites List in 5dg5
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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy