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Fluorine in PDB 6q7f: Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18

Enzymatic activity of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18

All present enzymatic activity of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18, PDB code: 6q7f was solved by D.Kudlinzki, A.Troester, K.Witt, V.L.Linhard, S.L.Gande, K.Saxena, H.Schwalbe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.36 / 1.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 32.671, 107.062, 40.524, 90.00, 108.83, 90.00
R / Rfree (%) 18.7 / 21

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18 (pdb code 6q7f). 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 the Nvp-BHG712 Derivative ATDL18, PDB code: 6q7f:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6q7f

Go back to Fluorine Binding Sites List in 6q7f
Fluorine binding site 1 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18


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 the Nvp-BHG712 Derivative ATDL18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:24.9
occ:0.75
 FBJ A:HNZ1001 0.0 24.9 0.8
FBJ A:HNZ1001 0.3 27.3 0.2
CBI A:HNZ1001 1.2 28.4 0.8
CBI A:HNZ1001 1.4 27.2 0.2
FBK A:HNZ1001 1.9 27.8 0.8
FBL A:HNZ1001 1.9 26.8 0.8
FBK A:HNZ1001 2.0 23.5 0.2
CAL A:HNZ1001 2.1 24.1 0.8
FBL A:HNZ1001 2.2 25.6 0.2
CAL A:HNZ1001 2.3 24.2 0.2
CAM A:HNZ1001 2.5 26.9 0.8
CAM A:HNZ1001 2.5 26.6 0.2
CAK A:HNZ1001 3.4 17.0 0.8
CAK A:HNZ1001 3.6 20.3 0.2
CE2 A:TYR735 3.6 16.4 1.0
CD1 A:LEU730 3.6 15.5 1.0
CD2 A:LEU730 3.7 17.0 1.0
CE2 A:PHE670 3.8 22.4 1.0
CAN A:HNZ1001 3.8 26.7 0.8
CAN A:HNZ1001 3.9 26.2 0.2
CD2 A:TYR735 3.9 14.6 1.0
CD2 A:PHE670 4.3 26.9 1.0
CZ A:TYR735 4.3 18.3 1.0
CG A:LEU730 4.3 15.1 1.0
CAJ A:HNZ1001 4.6 19.1 0.8
CB A:ASP757 4.6 18.7 1.0
CD2 A:HIS737 4.6 15.0 1.0
OH A:TYR735 4.7 20.8 1.0
CAJ A:HNZ1001 4.7 21.9 0.2
CAO A:HNZ1001 4.7 24.7 0.8
CG2 A:ILE675 4.7 17.6 1.0
CZ A:PHE670 4.8 23.2 1.0
CAO A:HNZ1001 4.8 23.9 0.2
CG1 A:VAL755 4.9 16.6 1.0
CG A:TYR735 4.9 15.2 1.0
OD2 A:ASP757 4.9 20.0 1.0

Fluorine binding site 2 out of 6 in 6q7f

Go back to Fluorine Binding Sites List in 6q7f
Fluorine binding site 2 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18


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 the Nvp-BHG712 Derivative ATDL18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:27.3
occ:0.25
 FBJ A:HNZ1001 0.0 27.3 0.2
FBJ A:HNZ1001 0.3 24.9 0.8
CBI A:HNZ1001 1.1 28.4 0.8
CBI A:HNZ1001 1.1 27.2 0.2
FBL A:HNZ1001 1.7 26.8 0.8
FBL A:HNZ1001 1.9 25.6 0.2
FBK A:HNZ1001 1.9 23.5 0.2
FBK A:HNZ1001 1.9 27.8 0.8
CAL A:HNZ1001 1.9 24.1 0.8
CAL A:HNZ1001 2.0 24.2 0.2
CAM A:HNZ1001 2.4 26.9 0.8
CAM A:HNZ1001 2.4 26.6 0.2
CAK A:HNZ1001 3.2 17.0 0.8
CAK A:HNZ1001 3.4 20.3 0.2
CE2 A:PHE670 3.7 22.4 1.0
CAN A:HNZ1001 3.7 26.7 0.8
CE2 A:TYR735 3.8 16.4 1.0
CAN A:HNZ1001 3.8 26.2 0.2
CD2 A:LEU730 3.8 17.0 1.0
CD1 A:LEU730 3.9 15.5 1.0
CD2 A:PHE670 4.1 26.9 1.0
CD2 A:TYR735 4.2 14.6 1.0
CAJ A:HNZ1001 4.4 19.1 0.8
CZ A:TYR735 4.4 18.3 1.0
CAJ A:HNZ1001 4.5 21.9 0.2
CG A:LEU730 4.5 15.1 1.0
CAO A:HNZ1001 4.5 24.7 0.8
CG2 A:ILE675 4.6 17.6 1.0
CB A:ASP757 4.6 18.7 1.0
CAO A:HNZ1001 4.7 23.9 0.2
CZ A:PHE670 4.7 23.2 1.0
OH A:TYR735 4.8 20.8 1.0
CD2 A:HIS737 4.9 15.0 1.0

Fluorine binding site 3 out of 6 in 6q7f

Go back to Fluorine Binding Sites List in 6q7f
Fluorine binding site 3 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18


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 the Nvp-BHG712 Derivative ATDL18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:27.8
occ:0.75
 FBK A:HNZ1001 0.0 27.8 0.8
FBK A:HNZ1001 0.8 23.5 0.2
CBI A:HNZ1001 1.1 28.4 0.8
CBI A:HNZ1001 1.6 27.2 0.2
FBL A:HNZ1001 1.8 26.8 0.8
FBJ A:HNZ1001 1.9 24.9 0.8
FBJ A:HNZ1001 1.9 27.3 0.2
CAL A:HNZ1001 2.0 24.1 0.8
CAL A:HNZ1001 2.2 24.2 0.2
FBL A:HNZ1001 2.5 25.6 0.2
CAK A:HNZ1001 2.8 17.0 0.8
CAM A:HNZ1001 3.0 26.9 0.8
CAM A:HNZ1001 3.0 26.6 0.2
CAK A:HNZ1001 3.1 20.3 0.2
C A:SER756 3.4 12.6 1.0
CB A:ASP757 3.6 18.7 1.0
CA A:SER756 3.6 13.2 1.0
O A:SER756 3.6 14.6 1.0
N A:ASP757 3.7 15.8 1.0
CG1 A:VAL755 3.8 16.6 1.0
N A:SER756 3.8 13.6 1.0
O A:VAL755 3.9 15.3 1.0
C A:VAL755 3.9 15.4 1.0
CD2 A:HIS737 4.0 15.0 1.0
NE2 A:HIS737 4.0 13.9 1.0
CAJ A:HNZ1001 4.1 19.1 0.8
CAN A:HNZ1001 4.2 26.2 0.2
CAN A:HNZ1001 4.2 26.7 0.8
CAJ A:HNZ1001 4.2 21.9 0.2
CA A:ASP757 4.3 17.6 1.0
CD1 A:LEU730 4.3 15.5 1.0
CB A:VAL755 4.5 14.4 1.0
CG A:ASP757 4.6 25.3 1.0
OD2 A:ASP757 4.6 20.0 1.0
CAO A:HNZ1001 4.7 24.7 0.8
CAO A:HNZ1001 4.7 23.9 0.2
OAI A:HNZ1001 4.7 14.7 0.8
CE2 A:TYR735 4.7 16.4 1.0
OAI A:HNZ1001 4.8 16.3 0.2
CA A:VAL755 4.9 12.7 1.0

Fluorine binding site 4 out of 6 in 6q7f

Go back to Fluorine Binding Sites List in 6q7f
Fluorine binding site 4 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18


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 the Nvp-BHG712 Derivative ATDL18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:23.5
occ:0.25
 FBK A:HNZ1001 0.0 23.5 0.2
FBK A:HNZ1001 0.8 27.8 0.8
CBI A:HNZ1001 0.9 28.4 0.8
FBL A:HNZ1001 1.1 26.8 0.8
CBI A:HNZ1001 1.1 27.2 0.2
FBL A:HNZ1001 1.8 25.6 0.2
FBJ A:HNZ1001 1.9 27.3 0.2
CAL A:HNZ1001 1.9 24.1 0.8
FBJ A:HNZ1001 2.0 24.9 0.8
CAL A:HNZ1001 2.0 24.2 0.2
CAK A:HNZ1001 2.5 17.0 0.8
CAK A:HNZ1001 2.7 20.3 0.2
CAM A:HNZ1001 3.1 26.6 0.2
CAM A:HNZ1001 3.1 26.9 0.8
O A:VAL755 3.4 15.3 1.0
CA A:SER756 3.5 13.2 1.0
C A:SER756 3.6 12.6 1.0
C A:VAL755 3.8 15.4 1.0
N A:SER756 3.8 13.6 1.0
CAJ A:HNZ1001 3.9 19.1 0.8
N A:ASP757 4.0 15.8 1.0
CAJ A:HNZ1001 4.0 21.9 0.2
O A:SER756 4.1 14.6 1.0
CB A:ASP757 4.1 18.7 1.0
CG1 A:VAL755 4.1 16.6 1.0
CAN A:HNZ1001 4.3 26.2 0.2
CAN A:HNZ1001 4.3 26.7 0.8
OAI A:HNZ1001 4.3 14.7 0.8
CG2 A:ILE675 4.4 17.6 1.0
CG2 A:ILE676 4.4 18.5 0.5
CG2 A:ILE676 4.4 18.1 0.6
CB A:VAL755 4.6 14.4 1.0
OAI A:HNZ1001 4.6 16.3 0.2
CD1 A:LEU730 4.6 15.5 1.0
CAO A:HNZ1001 4.6 24.7 0.8
CAO A:HNZ1001 4.6 23.9 0.2
CA A:ASP757 4.7 17.6 1.0
CD2 A:HIS737 4.8 15.0 1.0
NE2 A:HIS737 4.8 13.9 1.0
CA A:VAL755 4.8 12.7 1.0
CB A:SER756 4.9 16.7 1.0
NAH A:HNZ1001 4.9 19.0 0.8
NAH A:HNZ1001 5.0 20.1 0.2

Fluorine binding site 5 out of 6 in 6q7f

Go back to Fluorine Binding Sites List in 6q7f
Fluorine binding site 5 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18


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 the Nvp-BHG712 Derivative ATDL18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:26.8
occ:0.75
 FBL A:HNZ1001 0.0 26.8 0.8
FBL A:HNZ1001 0.8 25.6 0.2
CBI A:HNZ1001 0.8 27.2 0.2
FBK A:HNZ1001 1.1 23.5 0.2
CBI A:HNZ1001 1.1 28.4 0.8
FBJ A:HNZ1001 1.7 27.3 0.2
FBK A:HNZ1001 1.8 27.8 0.8
FBJ A:HNZ1001 1.9 24.9 0.8
CAL A:HNZ1001 2.0 24.2 0.2
CAL A:HNZ1001 2.0 24.1 0.8
CAK A:HNZ1001 2.7 17.0 0.8
CAK A:HNZ1001 2.7 20.3 0.2
CAM A:HNZ1001 3.2 26.6 0.2
CAM A:HNZ1001 3.2 26.9 0.8
CG2 A:ILE675 3.5 17.6 1.0
O A:VAL755 3.7 15.3 1.0
CAJ A:HNZ1001 4.0 19.1 0.8
CG2 A:ILE676 4.1 18.5 0.5
CAJ A:HNZ1001 4.1 21.9 0.2
CG2 A:ILE676 4.2 18.1 0.6
CA A:SER756 4.3 13.2 1.0
C A:VAL755 4.3 15.4 1.0
CD2 A:PHE670 4.4 26.9 1.0
CAN A:HNZ1001 4.4 26.7 0.8
CAN A:HNZ1001 4.4 26.2 0.2
CE2 A:PHE670 4.5 22.4 1.0
C A:SER756 4.6 12.6 1.0
N A:SER756 4.6 13.6 1.0
OAI A:HNZ1001 4.6 14.7 0.8
CAO A:HNZ1001 4.7 24.7 0.8
CD1 A:LEU730 4.7 15.5 1.0
CD2 A:LEU730 4.7 17.0 1.0
CAO A:HNZ1001 4.8 23.9 0.2
CD1 A:ILE675 4.8 18.5 1.0
N A:ASP757 4.8 15.8 1.0
CG1 A:VAL755 4.9 16.6 1.0
N A:ILE676 4.9 13.3 0.5
CB A:ILE675 4.9 14.4 1.0
N A:ILE676 4.9 13.2 0.6
CB A:ASP757 4.9 18.7 1.0
OAI A:HNZ1001 5.0 16.3 0.2

Fluorine binding site 6 out of 6 in 6q7f

Go back to Fluorine Binding Sites List in 6q7f
Fluorine binding site 6 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL18


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 the Nvp-BHG712 Derivative ATDL18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:25.6
occ:0.25
 FBL A:HNZ1001 0.0 25.6 0.2
FBL A:HNZ1001 0.8 26.8 0.8
CBI A:HNZ1001 1.1 27.2 0.2
CBI A:HNZ1001 1.6 28.4 0.8
FBK A:HNZ1001 1.8 23.5 0.2
FBJ A:HNZ1001 1.9 27.3 0.2
CAL A:HNZ1001 2.0 24.2 0.2
CAL A:HNZ1001 2.1 24.1 0.8
FBJ A:HNZ1001 2.2 24.9 0.8
FBK A:HNZ1001 2.5 27.8 0.8
CAK A:HNZ1001 2.6 20.3 0.2
CAK A:HNZ1001 2.7 17.0 0.8
CAM A:HNZ1001 3.1 26.6 0.2
CAM A:HNZ1001 3.1 26.9 0.8
CG2 A:ILE675 3.4 17.6 1.0
CD2 A:PHE670 3.7 26.9 1.0
CAJ A:HNZ1001 3.9 19.1 0.8
CAJ A:HNZ1001 4.0 21.9 0.2
CE2 A:PHE670 4.0 22.4 1.0
CG2 A:ILE676 4.1 18.5 0.5
CAN A:HNZ1001 4.2 26.7 0.8
CG2 A:ILE676 4.2 18.1 0.6
O A:VAL755 4.2 15.3 1.0
CAN A:HNZ1001 4.3 26.2 0.2
CAO A:HNZ1001 4.5 24.7 0.8
CAO A:HNZ1001 4.6 23.9 0.2
CD2 A:LEU730 4.7 17.0 1.0
OAI A:HNZ1001 4.8 14.7 0.8
CG A:MET667 4.8 25.9 1.0
CB A:ILE675 4.9 14.4 1.0
NAH A:HNZ1001 4.9 19.0 0.8
CG A:PHE670 4.9 25.1 1.0
CA A:SER756 4.9 13.2 1.0
NAH A:HNZ1001 4.9 20.1 0.2
C A:VAL755 5.0 15.4 1.0
O A:ILE676 5.0 18.5 0.6

Reference:

A.Troester, D.Kudlinzki, K.Saxena, S.Gande, H.Schwalbe. Effects of Nvp-BHG712 Chemical Modifications on EPHA2 Binding and Affinity To Be Published.
Page generated: Fri Aug 2 00:42:06 2024

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