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Fluorine in PDB 8boc: Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19

Enzymatic activity of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19

All present enzymatic activity of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19, PDB code: 8boc was solved by V.Linhard, K.Witt, S.Gande, J.Wollenhaupt, F.Lennartz, M.S.Weiss, H.Schwalbe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.73 / 1.90
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 33.7, 71.72, 123.64, 90, 90, 90
R / Rfree (%) 24.6 / 28.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19 (pdb code 8boc). 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 Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19, PDB code: 8boc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 8boc

Go back to Fluorine Binding Sites List in 8boc
Fluorine binding site 1 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19


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 Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:47.4
occ:1.00
F A:QUF1001 0.0 47.4 1.0
C12 A:QUF1001 1.3 41.8 1.0
F2 A:QUF1001 2.1 45.6 1.0
F1 A:QUF1001 2.1 45.6 1.0
C11 A:QUF1001 2.4 43.5 1.0
HA A:SER756 2.6 41.3 1.0
H7 A:QUF1001 2.7 34.0 1.0
C10 A:QUF1001 2.9 28.3 1.0
HG12 A:VAL755 3.0 42.9 1.0
HE2 A:HIS737 3.1 37.9 1.0
C A:SER756 3.2 33.8 1.0
CA A:SER756 3.2 34.4 1.0
HB2 A:ASP757 3.4 47.8 1.0
C13 A:QUF1001 3.5 35.6 1.0
O A:SER756 3.5 39.4 1.0
O A:VAL755 3.6 41.0 1.0
N A:ASP757 3.6 36.2 1.0
N A:SER756 3.6 34.8 1.0
H A:ASP757 3.7 43.6 1.0
NE2 A:HIS737 3.7 31.9 1.0
H8 A:QUF1001 3.7 42.9 1.0
C A:VAL755 3.8 42.2 1.0
HD2 A:HIS737 4.0 43.3 1.0
HG22 A:ILE676 4.0 42.3 1.0
CG1 A:VAL755 4.0 35.6 1.0
HB3 A:ASP757 4.0 47.8 1.0
HG23 A:ILE675 4.1 39.0 1.0
CB A:ASP757 4.1 39.8 1.0
H A:SER756 4.1 41.8 1.0
CD2 A:HIS737 4.2 36.1 1.0
C9 A:QUF1001 4.3 38.9 1.0
HG21 A:ILE676 4.3 42.3 1.0
HG13 A:VAL755 4.4 42.9 1.0
CA A:ASP757 4.4 38.1 1.0
HG11 A:VAL755 4.5 42.9 1.0
HD11 A:LEU730 4.5 50.4 1.0
O A:QUF1001 4.5 41.0 1.0
HB A:VAL755 4.6 47.1 1.0
CB A:SER756 4.6 40.4 1.0
CG2 A:ILE676 4.6 35.2 1.0
C14 A:QUF1001 4.6 41.0 1.0
HB3 A:SER756 4.7 48.5 1.0
CB A:VAL755 4.7 39.2 1.0
CE1 A:HIS737 4.8 37.9 1.0
CG2 A:ILE675 4.9 32.4 1.0
CA A:VAL755 4.9 32.4 1.0
O A:HOH1105 4.9 30.0 1.0
H A:ILE676 4.9 53.8 1.0
HA A:ASP757 4.9 45.9 1.0
HG22 A:ILE675 4.9 39.0 1.0
HE2 A:TYR735 5.0 44.6 1.0
C16 A:QUF1001 5.0 36.5 1.0

Fluorine binding site 2 out of 6 in 8boc

Go back to Fluorine Binding Sites List in 8boc
Fluorine binding site 2 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19


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 Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:45.6
occ:1.00
F1 A:QUF1001 0.0 45.6 1.0
C12 A:QUF1001 1.3 41.8 1.0
F2 A:QUF1001 2.1 45.6 1.0
F A:QUF1001 2.1 47.4 1.0
C11 A:QUF1001 2.4 43.5 1.0
H7 A:QUF1001 3.0 34.0 1.0
C10 A:QUF1001 3.0 28.3 1.0
HD2 A:PHE670 3.2 70.8 1.0
C13 A:QUF1001 3.4 35.6 1.0
HG23 A:ILE675 3.4 39.0 1.0
HG22 A:ILE676 3.5 42.3 1.0
HE2 A:PHE670 3.5 70.1 1.0
H8 A:QUF1001 3.6 42.9 1.0
CD2 A:PHE670 3.7 59.0 1.0
HG22 A:ILE675 3.7 39.0 1.0
HG2 A:MET667 3.8 52.2 1.0
CE2 A:PHE670 3.8 58.4 1.0
CG2 A:ILE675 3.9 32.4 1.0
HG21 A:ILE675 3.9 39.0 1.0
HA A:SER756 3.9 41.3 1.0
HA A:MET667 4.2 52.0 1.0
CG2 A:ILE676 4.2 35.2 1.0
HG21 A:ILE676 4.3 42.3 1.0
C9 A:QUF1001 4.3 38.9 1.0
O A:VAL755 4.4 41.0 1.0
HD21 A:LEU730 4.4 52.2 1.0
HG23 A:ILE676 4.4 42.3 1.0
C14 A:QUF1001 4.6 41.0 1.0
CG A:MET667 4.6 43.4 1.0
HG12 A:VAL755 4.7 42.9 1.0
HG3 A:MET667 4.7 52.2 1.0
CG A:PHE670 4.7 50.5 1.0
HB2 A:PHE670 4.8 66.6 1.0
CA A:SER756 4.8 34.4 1.0
H A:ILE676 4.8 53.8 1.0
HD11 A:LEU730 4.8 50.4 1.0
HD12 A:ILE675 4.9 53.9 1.0
O A:QUF1001 4.9 41.0 1.0
C16 A:QUF1001 4.9 36.5 1.0
CZ A:PHE670 5.0 51.1 1.0

Fluorine binding site 3 out of 6 in 8boc

Go back to Fluorine Binding Sites List in 8boc
Fluorine binding site 3 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19


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 Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:45.6
occ:1.00
F2 A:QUF1001 0.0 45.6 1.0
C12 A:QUF1001 1.3 41.8 1.0
F1 A:QUF1001 2.1 45.6 1.0
F A:QUF1001 2.1 47.4 1.0
H8 A:QUF1001 2.3 42.9 1.0
C11 A:QUF1001 2.3 43.5 1.0
C13 A:QUF1001 2.7 35.6 1.0
HE2 A:TYR735 3.3 44.6 1.0
HE2 A:PHE670 3.4 70.1 1.0
HH A:TYR735 3.4 55.6 1.0
C10 A:QUF1001 3.6 28.3 1.0
CE2 A:TYR735 3.7 37.1 1.0
HD2 A:HIS737 3.8 43.3 1.0
CE2 A:PHE670 3.8 58.4 1.0
O A:HOH1105 3.9 30.0 1.0
OH A:TYR735 3.9 46.3 1.0
HE2 A:HIS737 4.0 37.9 1.0
H7 A:QUF1001 4.0 34.0 1.0
CZ A:TYR735 4.0 45.4 1.0
HB2 A:ASP757 4.0 47.8 1.0
C14 A:QUF1001 4.1 41.0 1.0
HD11 A:LEU730 4.1 50.4 1.0
HD21 A:LEU730 4.2 52.2 1.0
CD2 A:HIS737 4.2 36.1 1.0
HD13 A:LEU730 4.2 50.4 1.0
HG12 A:VAL755 4.3 42.9 1.0
NE2 A:HIS737 4.3 31.9 1.0
HD2 A:PHE670 4.3 70.8 1.0
CD2 A:PHE670 4.4 59.0 1.0
CD2 A:TYR735 4.5 44.3 1.0
HB3 A:ASP757 4.5 47.8 1.0
HD22 A:LEU730 4.5 52.2 1.0
CZ A:PHE670 4.6 51.1 1.0
HZ A:PHE670 4.6 61.4 1.0
HG23 A:ILE675 4.6 39.0 1.0
CD1 A:LEU730 4.6 42.0 1.0
HD2 A:TYR735 4.7 53.2 1.0
HA A:SER756 4.7 41.3 1.0
CB A:ASP757 4.7 39.8 1.0
C9 A:QUF1001 4.8 38.9 1.0
CD2 A:LEU730 4.8 43.5 1.0
C16 A:QUF1001 4.9 36.5 1.0
HG22 A:ILE666 5.0 60.9 1.0
F5 A:QUF1001 5.0 43.7 1.0
C15 A:QUF1001 5.0 37.6 1.0
CE1 A:TYR735 5.0 49.6 1.0

Fluorine binding site 4 out of 6 in 8boc

Go back to Fluorine Binding Sites List in 8boc
Fluorine binding site 4 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19


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 Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:48.2
occ:1.00
F3 A:QUF1001 0.0 48.2 1.0
C15 A:QUF1001 1.3 37.6 1.0
F5 A:QUF1001 2.1 43.7 1.0
F4 A:QUF1001 2.1 49.7 1.0
C14 A:QUF1001 2.4 41.0 1.0
H8 A:QUF1001 2.9 42.9 1.0
C13 A:QUF1001 3.0 35.6 1.0
HG21 A:ILE666 3.2 60.9 1.0
HB A:ILE666 3.2 72.7 1.0
HB2 A:GLU663 3.4 65.7 1.0
C16 A:QUF1001 3.4 36.5 1.0
OH A:TYR735 3.5 46.3 1.0
H9 A:QUF1001 3.6 43.9 1.0
HA A:GLU663 3.7 68.1 1.0
HG12 A:ILE666 3.7 71.8 1.0
CG2 A:ILE666 3.8 50.7 1.0
HH A:TYR735 3.8 55.6 1.0
CB A:ILE666 3.9 60.5 1.0
HG22 A:ILE666 3.9 60.9 1.0
HD13 A:ILE666 4.2 76.9 1.0
CB A:GLU663 4.3 54.7 1.0
CG1 A:ILE666 4.3 59.7 1.0
C11 A:QUF1001 4.3 43.5 1.0
O A:GLU663 4.3 53.8 1.0
HE1 A:TYR735 4.4 59.6 1.0
CA A:GLU663 4.4 56.7 1.0
HG3 A:MET667 4.4 52.2 1.0
CZ A:TYR735 4.6 45.4 1.0
HH21 A:ARG762 4.6 54.0 1.0
C9 A:QUF1001 4.6 38.9 1.0
HG23 A:ILE666 4.7 60.9 1.0
CD1 A:ILE666 4.8 64.0 1.0
HH22 A:ARG762 4.8 54.0 1.0
NH2 A:ARG762 4.8 44.9 1.0
HB3 A:GLU663 4.8 65.7 1.0
CE1 A:TYR735 4.8 49.6 1.0
HB3 A:ASP757 4.9 47.8 1.0
C A:GLU663 4.9 57.3 1.0
HE2 A:PHE670 5.0 70.1 1.0
H A:MET667 5.0 65.0 1.0
O A:HOH1105 5.0 30.0 1.0
C10 A:QUF1001 5.0 28.3 1.0

Fluorine binding site 5 out of 6 in 8boc

Go back to Fluorine Binding Sites List in 8boc
Fluorine binding site 5 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19


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 Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:49.7
occ:1.00
F4 A:QUF1001 0.0 49.7 1.0
C15 A:QUF1001 1.3 37.6 1.0
F5 A:QUF1001 2.1 43.7 1.0
F3 A:QUF1001 2.1 48.2 1.0
H9 A:QUF1001 2.3 43.9 1.0
C14 A:QUF1001 2.4 41.0 1.0
HB2 A:GLU663 2.5 65.7 1.0
C16 A:QUF1001 2.7 36.5 1.0
HH22 A:ARG762 2.9 54.0 1.0
HH21 A:ARG762 3.1 54.0 1.0
NH2 A:ARG762 3.1 44.9 1.0
CB A:GLU663 3.5 54.7 1.0
C13 A:QUF1001 3.6 35.6 1.0
HB3 A:GLU663 3.8 65.7 1.0
HA A:GLU663 4.0 68.1 1.0
H8 A:QUF1001 4.0 42.9 1.0
CD A:GLU663 4.0 52.4 1.0
OE2 A:GLU663 4.1 43.4 1.0
C9 A:QUF1001 4.1 38.9 1.0
CZ A:ARG762 4.1 43.7 1.0
HB3 A:ASP757 4.1 47.8 1.0
CG A:GLU663 4.2 51.8 1.0
CA A:GLU663 4.3 56.7 1.0
HG3 A:GLU663 4.4 62.2 1.0
OD2 A:ASP757 4.4 35.9 1.0
OE1 A:GLU663 4.5 57.7 1.0
HE A:ARG762 4.5 49.9 1.0
H6 A:QUF1001 4.7 47.2 1.0
NE A:ARG762 4.7 41.5 1.0
C11 A:QUF1001 4.7 43.5 1.0
HH12 A:ARG762 4.8 50.2 1.0
NH1 A:ARG762 4.9 41.8 1.0
CG A:ASP757 4.9 44.9 1.0
HB A:ILE666 4.9 72.7 1.0
C10 A:QUF1001 4.9 28.3 1.0
CB A:ASP757 4.9 39.8 1.0
N3 A:QUF1001 4.9 39.3 1.0
HH A:TYR735 4.9 55.6 1.0
OH A:TYR735 4.9 46.3 1.0
O A:GLU663 5.0 53.8 1.0
O A:ASP757 5.0 36.3 1.0

Fluorine binding site 6 out of 6 in 8boc

Go back to Fluorine Binding Sites List in 8boc
Fluorine binding site 6 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19


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 Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 19 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:43.7
occ:1.00
F5 A:QUF1001 0.0 43.7 1.0
C15 A:QUF1001 1.3 37.6 1.0
F4 A:QUF1001 2.1 49.7 1.0
F3 A:QUF1001 2.1 48.2 1.0
C14 A:QUF1001 2.3 41.0 1.0
H8 A:QUF1001 2.8 42.9 1.0
HH21 A:ARG762 2.9 54.0 1.0
C13 A:QUF1001 2.9 35.6 1.0
HH A:TYR735 3.0 55.6 1.0
OH A:TYR735 3.1 46.3 1.0
OD2 A:ASP757 3.1 35.9 1.0
NH2 A:ARG762 3.3 44.9 1.0
C16 A:QUF1001 3.4 36.5 1.0
O A:HOH1105 3.4 30.0 1.0
HB3 A:ASP757 3.5 47.8 1.0
HH22 A:ARG762 3.6 54.0 1.0
H9 A:QUF1001 3.7 43.9 1.0
HH12 A:ARG762 3.8 50.2 1.0
CG A:ASP757 3.9 44.9 1.0
CZ A:ARG762 3.9 43.7 1.0
NH1 A:ARG762 4.1 41.8 1.0
CB A:ASP757 4.1 39.8 1.0
C11 A:QUF1001 4.2 43.5 1.0
HB2 A:ASP757 4.2 47.8 1.0
CZ A:TYR735 4.4 45.4 1.0
HB2 A:GLU663 4.5 65.7 1.0
C9 A:QUF1001 4.6 38.9 1.0
HG21 A:ILE666 4.7 60.9 1.0
O A:HOH1108 4.7 28.5 1.0
HH11 A:ARG762 4.8 50.2 1.0
C10 A:QUF1001 4.9 28.3 1.0
NE A:ARG762 4.9 41.5 1.0
HE1 A:TYR735 4.9 59.6 1.0
F2 A:QUF1001 5.0 45.6 1.0

Reference:

H.Schwalbe, V.Linhard, K.Witt, S.Gande, J.Wollenhaupt, F.Lennartz, M.S.Weiss, H.Schwalbe. N/A N/A.
Page generated: Thu Dec 28 04:20:45 2023

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