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Fluorine in PDB 3gql: Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates

Enzymatic activity of Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates

All present enzymatic activity of Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates, PDB code: 3gql was solved by J.H.Bae, E.D.Lew, S.Yuzawa, F.Tome, I.Lax, J.Schlessinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.01 / 2.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 194.168, 78.265, 98.458, 90.00, 110.55, 90.00
R / Rfree (%) 25.2 / 28.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates (pdb code 3gql). 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 Activated Receptor Tyrosine Kinase in Complex with Substrates, PDB code: 3gql:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3gql

Go back to Fluorine Binding Sites List in 3gql
Fluorine binding site 1 out of 6 in the Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates


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 Activated Receptor Tyrosine Kinase in Complex with Substrates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1

b:79.4
occ:1.00
 F26 A:GQL1 0.0 79.4 1.0
C25 A:GQL1 1.3 76.0 1.0
C24 A:GQL1 2.4 75.2 1.0
C27 A:GQL1 2.4 75.1 1.0
O A:HOH134 2.7 66.2 1.0
O A:HOH17 3.2 74.7 1.0
O A:HOH37 3.6 54.9 1.0
C22 A:GQL1 3.6 74.5 1.0
C3 A:GQL1 3.6 73.1 1.0
C21 A:GQL1 4.1 74.6 1.0
O12 A:GQL1 4.5 75.2 1.0
O A:HOH97 4.5 58.2 1.0
F23 A:GQL1 4.7 77.1 1.0
C2 A:GQL1 4.8 71.5 1.0

Fluorine binding site 2 out of 6 in 3gql

Go back to Fluorine Binding Sites List in 3gql
Fluorine binding site 2 out of 6 in the Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates


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 Activated Receptor Tyrosine Kinase in Complex with Substrates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1

b:77.1
occ:1.00
 F23 A:GQL1 0.0 77.1 1.0
C22 A:GQL1 1.3 74.5 1.0
C24 A:GQL1 2.3 75.2 1.0
C21 A:GQL1 2.4 74.6 1.0
CB A:VAL492 3.1 69.3 1.0
CG2 A:VAL492 3.2 68.5 1.0
N A:GLU486 3.3 84.6 1.0
C A:GLY485 3.5 82.2 1.0
C25 A:GQL1 3.6 76.0 1.0
C3 A:GQL1 3.7 73.1 1.0
CA A:GLU486 3.7 87.8 1.0
C A:GLU486 3.8 89.3 1.0
O A:LEU484 3.8 73.7 1.0
N A:GLY487 3.9 91.0 1.0
CA A:GLY485 3.9 80.3 1.0
N A:VAL492 3.9 74.8 1.0
O A:GLY485 3.9 82.0 1.0
CA A:VAL492 4.0 69.7 1.0
C A:LEU484 4.1 74.0 1.0
C27 A:GQL1 4.1 75.1 1.0
O12 A:GQL1 4.1 75.2 1.0
CG1 A:VAL492 4.1 68.5 1.0
N A:GLY485 4.2 76.9 1.0
O A:VAL492 4.2 66.4 1.0
O A:GLU486 4.3 89.3 1.0
C A:VAL492 4.5 66.9 1.0
O A:HOH97 4.5 58.2 1.0
CA A:GLY487 4.6 93.4 1.0
F26 A:GQL1 4.7 79.4 1.0
CB A:LEU484 4.8 70.4 1.0
C2 A:GQL1 4.8 71.5 1.0
C11 A:GQL1 4.9 74.1 1.0
C A:GLN491 5.0 78.8 1.0

Fluorine binding site 3 out of 6 in 3gql

Go back to Fluorine Binding Sites List in 3gql
Fluorine binding site 3 out of 6 in the Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates


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 Activated Receptor Tyrosine Kinase in Complex with Substrates within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1

b:84.7
occ:1.00
 F26 B:GQL1 0.0 84.7 1.0
C25 B:GQL1 1.4 83.1 1.0
C27 B:GQL1 2.4 81.7 1.0
C24 B:GQL1 2.4 82.4 1.0
O B:HOH33 2.7 82.1 1.0
O B:HOH132 3.0 71.6 1.0
C22 B:GQL1 3.6 82.1 1.0
C3 B:GQL1 3.6 80.2 1.0
C21 B:GQL1 4.1 81.1 1.0
O12 B:GQL1 4.4 79.5 1.0
F23 B:GQL1 4.7 82.5 1.0
CD2 B:LEU630 4.8 59.1 1.0
C2 B:GQL1 4.8 79.3 1.0
O B:HOH35 4.9 89.0 1.0
ND2 B:ASN568 4.9 70.1 1.0

Fluorine binding site 4 out of 6 in 3gql

Go back to Fluorine Binding Sites List in 3gql
Fluorine binding site 4 out of 6 in the Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates


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 Activated Receptor Tyrosine Kinase in Complex with Substrates within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1

b:82.5
occ:1.00
 F23 B:GQL1 0.0 82.5 1.0
C22 B:GQL1 1.3 82.1 1.0
C24 B:GQL1 2.4 82.4 1.0
C21 B:GQL1 2.4 81.1 1.0
O B:GLY485 3.1 91.8 1.0
C B:GLY485 3.2 91.3 1.0
CB B:VAL492 3.3 83.2 1.0
CG2 B:VAL492 3.4 83.5 1.0
C25 B:GQL1 3.6 83.1 1.0
C3 B:GQL1 3.7 80.2 1.0
CA B:GLY485 3.7 89.1 1.0
N B:GLU486 3.7 94.1 1.0
C B:GLU486 3.9 99.0 1.0
N B:GLY485 3.9 85.5 1.0
O12 B:GQL1 4.0 79.5 1.0
N B:GLY487 4.1 0.9 1.0
CA B:GLU486 4.1 97.4 1.0
C27 B:GQL1 4.1 81.7 1.0
N B:VAL492 4.1 86.3 1.0
O B:GLU486 4.2 98.3 1.0
CA B:VAL492 4.3 83.5 1.0
C B:LEU484 4.3 82.8 1.0
CG1 B:VAL492 4.3 82.3 1.0
O B:LEU484 4.3 83.0 1.0
O B:HOH83 4.4 67.3 1.0
O B:VAL492 4.6 82.3 1.0
CA B:GLY487 4.7 0.7 1.0
F26 B:GQL1 4.7 84.7 1.0
C2 B:GQL1 4.8 79.3 1.0
C B:VAL492 4.8 81.9 1.0
CB B:LEU484 4.8 78.6 1.0

Fluorine binding site 5 out of 6 in 3gql

Go back to Fluorine Binding Sites List in 3gql
Fluorine binding site 5 out of 6 in the Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates


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 Activated Receptor Tyrosine Kinase in Complex with Substrates within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1

b:88.3
occ:1.00
 F26 C:GQL1 0.0 88.3 1.0
C25 C:GQL1 1.3 86.7 1.0
C24 C:GQL1 2.4 86.2 1.0
C27 C:GQL1 2.4 86.5 1.0
C22 C:GQL1 3.6 86.5 1.0
C3 C:GQL1 3.6 86.6 1.0
C21 C:GQL1 4.1 86.7 1.0
O12 C:GQL1 4.4 89.6 1.0
F23 C:GQL1 4.7 86.7 1.0
C2 C:GQL1 4.8 87.2 1.0

Fluorine binding site 6 out of 6 in 3gql

Go back to Fluorine Binding Sites List in 3gql
Fluorine binding site 6 out of 6 in the Crystal Structure of Activated Receptor Tyrosine Kinase in Complex with Substrates


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 Activated Receptor Tyrosine Kinase in Complex with Substrates within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1

b:86.7
occ:1.00
 F23 C:GQL1 0.0 86.7 1.0
C22 C:GQL1 1.3 86.5 1.0
C24 C:GQL1 2.4 86.2 1.0
C21 C:GQL1 2.4 86.7 1.0
CB C:VAL492 3.0 75.5 1.0
CA C:GLY485 3.1 89.4 1.0
CG2 C:VAL492 3.2 74.8 1.0
O C:GLY485 3.3 92.4 1.0
N C:GLY485 3.3 86.7 1.0
C C:GLY485 3.5 92.2 1.0
C25 C:GQL1 3.6 86.7 1.0
C3 C:GQL1 3.6 86.6 1.0
C C:LEU484 3.9 84.5 1.0
CG1 C:VAL492 3.9 74.9 1.0
O12 C:GQL1 4.0 89.6 1.0
CA C:VAL492 4.0 76.6 1.0
N C:VAL492 4.1 79.7 1.0
C27 C:GQL1 4.1 86.5 1.0
O C:LEU484 4.2 84.6 1.0
O C:VAL492 4.3 75.2 1.0
CB C:LEU484 4.5 83.5 1.0
C C:VAL492 4.5 75.5 1.0
N C:GLU486 4.6 94.9 1.0
C11 C:GQL1 4.7 89.5 1.0
F26 C:GQL1 4.7 88.3 1.0
CA C:LEU484 4.7 83.0 1.0
C2 C:GQL1 4.8 87.2 1.0

Reference:

J.H.Bae, E.D.Lew, S.Yuzawa, F.Tome, I.Lax, J.Schlessinger. The Selectivity of Receptor Tyrosine Kinase Signaling Is Controlled By A Secondary SH2 Domain Binding Site. Cell(Cambridge,Mass.) V. 138 514 2009.
ISSN: ISSN 0092-8674
PubMed: 19665973
DOI: 10.1016/J.CELL.2009.05.028
Page generated: Sun Dec 13 11:47:11 2020

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