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Fluorine in PDB 6q7e: Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14

Enzymatic activity of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14

All present enzymatic activity of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14, PDB code: 6q7e 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) 38.34 / 1.06
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 32.868, 107.211, 40.516, 90.00, 108.85, 90.00
R / Rfree (%) 19.2 / 21.2

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 ATDL14 (pdb code 6q7e). 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 ATDL14, PDB code: 6q7e:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6q7e

Go back to Fluorine Binding Sites List in 6q7e
Fluorine binding site 1 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14


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 ATDL14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:17.5
occ:0.47
 FBJ A:HMW1001 0.0 17.5 0.5
FBJ A:HMW1001 0.5 16.6 0.5
CBI A:HMW1001 1.3 15.1 0.5
CBI A:HMW1001 1.5 17.3 0.5
FBL A:HMW1001 2.1 17.0 0.5
FBK A:HMW1001 2.1 16.1 0.5
FBL A:HMW1001 2.2 19.5 0.5
CAL A:HMW1001 2.2 14.1 0.5
CAL A:HMW1001 2.3 11.6 0.5
FBK A:HMW1001 2.5 19.8 0.5
CAK A:HMW1001 3.1 12.7 0.5
CAK A:HMW1001 3.1 10.9 0.5
CAM A:HMW1001 3.1 16.4 0.5
CAM A:HMW1001 3.1 15.9 0.5
C A:SER756 3.1 11.5 1.0
O A:SER756 3.2 10.3 1.0
CA A:SER756 3.4 11.0 1.0
NE2 A:HIS737 3.5 12.0 1.0
CD2 A:HIS737 3.6 12.8 1.0
N A:ASP757 3.6 11.8 1.0
N A:SER756 3.7 10.2 1.0
CG1 A:VAL755 3.8 13.3 1.0
O A:VAL755 3.9 10.6 1.0
C A:VAL755 3.9 9.8 1.0
CB A:ASP757 4.0 13.1 1.0
CAJ A:HMW1001 4.3 11.6 0.5
CAJ A:HMW1001 4.3 12.0 0.5
CAN A:HMW1001 4.3 16.2 0.5
CAN A:HMW1001 4.3 16.2 0.5
CA A:ASP757 4.4 11.6 1.0
CD1 A:LEU730 4.5 12.2 1.0
O A:HOH1131 4.6 15.5 1.0
CE1 A:HIS737 4.7 12.0 1.0
CB A:VAL755 4.7 10.7 1.0
CAO A:HMW1001 4.8 16.4 0.5
CAO A:HMW1001 4.8 16.4 0.5
CG A:HIS737 4.8 11.9 1.0
OAI A:HMW1001 4.8 9.7 0.5
OAI A:HMW1001 4.9 14.2 0.5
CB A:SER756 4.9 11.6 1.0
CA A:VAL755 4.9 9.7 1.0

Fluorine binding site 2 out of 6 in 6q7e

Go back to Fluorine Binding Sites List in 6q7e
Fluorine binding site 2 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14


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 ATDL14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:16.6
occ:0.49
 FBJ A:HMW1001 0.0 16.6 0.5
FBJ A:HMW1001 0.5 17.5 0.5
CBI A:HMW1001 1.2 15.1 0.5
CBI A:HMW1001 1.3 17.3 0.5
FBK A:HMW1001 1.7 16.1 0.5
FBK A:HMW1001 2.1 19.8 0.5
FBL A:HMW1001 2.1 17.0 0.5
FBL A:HMW1001 2.2 19.5 0.5
CAL A:HMW1001 2.2 14.1 0.5
CAL A:HMW1001 2.3 11.6 0.5
CAK A:HMW1001 2.9 12.7 0.5
CAK A:HMW1001 3.0 10.9 0.5
C A:SER756 3.2 11.5 1.0
CA A:SER756 3.3 11.0 1.0
CAM A:HMW1001 3.3 16.4 0.5
CAM A:HMW1001 3.3 15.9 0.5
O A:SER756 3.4 10.3 1.0
O A:VAL755 3.5 10.6 1.0
N A:SER756 3.5 10.2 1.0
C A:VAL755 3.7 9.8 1.0
N A:ASP757 3.7 11.8 1.0
CG1 A:VAL755 3.9 13.3 1.0
NE2 A:HIS737 3.9 12.0 1.0
CD2 A:HIS737 4.0 12.8 1.0
CAJ A:HMW1001 4.3 12.0 0.5
CAJ A:HMW1001 4.3 11.6 0.5
CB A:ASP757 4.3 13.1 1.0
CAN A:HMW1001 4.4 16.2 0.5
CAN A:HMW1001 4.5 16.2 0.5
CA A:ASP757 4.6 11.6 1.0
CD1 A:LEU730 4.6 12.2 1.0
CB A:VAL755 4.6 10.7 1.0
OAI A:HMW1001 4.7 9.7 0.5
CB A:SER756 4.7 11.6 1.0
OAI A:HMW1001 4.7 14.2 0.5
CA A:VAL755 4.7 9.7 1.0
CG2 A:ILE676 4.8 15.3 1.0
CG2 A:ILE675 4.8 13.7 0.7
CAO A:HMW1001 4.8 16.4 0.5
CAO A:HMW1001 4.9 16.4 0.5
CG2 A:ILE675 4.9 13.1 0.3

Fluorine binding site 3 out of 6 in 6q7e

Go back to Fluorine Binding Sites List in 6q7e
Fluorine binding site 3 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14


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 ATDL14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:16.1
occ:0.47
 FBK A:HMW1001 0.0 16.1 0.5
FBK A:HMW1001 0.5 19.8 0.5
CBI A:HMW1001 1.2 17.3 0.5
CBI A:HMW1001 1.3 15.1 0.5
FBJ A:HMW1001 1.7 16.6 0.5
FBJ A:HMW1001 2.1 17.5 0.5
FBL A:HMW1001 2.2 19.5 0.5
CAL A:HMW1001 2.2 11.6 0.5
CAL A:HMW1001 2.3 14.1 0.5
FBL A:HMW1001 2.3 17.0 0.5
CAK A:HMW1001 2.7 10.9 0.5
CAK A:HMW1001 2.7 12.7 0.5
O A:VAL755 3.4 10.6 1.0
CAM A:HMW1001 3.5 16.4 0.5
CAM A:HMW1001 3.5 15.9 0.5
CG2 A:ILE675 3.6 13.7 0.7
CG2 A:ILE675 3.6 13.1 0.3
CG2 A:ILE676 3.7 15.3 1.0
CA A:SER756 4.0 11.0 1.0
CAJ A:HMW1001 4.1 12.0 0.5
CAJ A:HMW1001 4.1 11.6 0.5
C A:VAL755 4.1 9.8 1.0
N A:SER756 4.3 10.2 1.0
C A:SER756 4.4 11.5 1.0
CD2 A:PHE670 4.5 22.7 1.0
OAI A:HMW1001 4.6 9.7 0.5
CAN A:HMW1001 4.6 16.2 0.5
CAN A:HMW1001 4.6 16.2 0.5
N A:ASP757 4.7 11.8 1.0
N A:ILE676 4.7 10.9 1.0
OAI A:HMW1001 4.7 14.2 0.5
CE2 A:PHE670 4.7 19.2 1.0
CAO A:HMW1001 4.9 16.4 0.5
CAO A:HMW1001 4.9 16.4 0.5
O A:SER756 4.9 10.3 1.0
CB A:ILE675 4.9 13.2 0.7
CB A:ILE675 4.9 13.2 0.3
CG1 A:VAL755 5.0 13.3 1.0
CB A:ILE676 5.0 11.4 1.0

Fluorine binding site 4 out of 6 in 6q7e

Go back to Fluorine Binding Sites List in 6q7e
Fluorine binding site 4 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14


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 ATDL14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:19.8
occ:0.49
 FBK A:HMW1001 0.0 19.8 0.5
FBK A:HMW1001 0.5 16.1 0.5
CBI A:HMW1001 1.3 17.3 0.5
CBI A:HMW1001 1.4 15.1 0.5
FBL A:HMW1001 2.1 19.5 0.5
FBJ A:HMW1001 2.1 16.6 0.5
FBL A:HMW1001 2.2 17.0 0.5
CAL A:HMW1001 2.2 11.6 0.5
CAL A:HMW1001 2.3 14.1 0.5
FBJ A:HMW1001 2.5 17.5 0.5
CAK A:HMW1001 2.8 10.9 0.5
CAK A:HMW1001 2.8 12.7 0.5
CAM A:HMW1001 3.4 15.9 0.5
CAM A:HMW1001 3.4 16.4 0.5
CG2 A:ILE675 3.4 13.7 0.7
CG2 A:ILE675 3.5 13.1 0.3
O A:VAL755 3.9 10.6 1.0
CG2 A:ILE676 3.9 15.3 1.0
CD2 A:PHE670 4.0 22.7 1.0
CAJ A:HMW1001 4.1 12.0 0.5
CAJ A:HMW1001 4.1 11.6 0.5
CE2 A:PHE670 4.2 19.2 1.0
CA A:SER756 4.5 11.0 1.0
CAN A:HMW1001 4.5 16.2 0.5
CAN A:HMW1001 4.5 16.2 0.5
C A:VAL755 4.6 9.8 1.0
CAO A:HMW1001 4.8 16.4 0.5
CAO A:HMW1001 4.8 16.4 0.5
OAI A:HMW1001 4.8 9.7 0.5
C A:SER756 4.9 11.5 1.0
N A:ILE676 4.9 10.9 1.0
CB A:ILE675 4.9 13.2 0.7
CB A:ILE675 4.9 13.2 0.3
N A:SER756 4.9 10.2 1.0
CD2 A:LEU730 4.9 14.3 1.0
OAI A:HMW1001 5.0 14.2 0.5

Fluorine binding site 5 out of 6 in 6q7e

Go back to Fluorine Binding Sites List in 6q7e
Fluorine binding site 5 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14


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 ATDL14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:19.5
occ:0.47
 FBL A:HMW1001 0.0 19.5 0.5
FBL A:HMW1001 0.1 17.0 0.5
CBI A:HMW1001 1.3 17.3 0.5
CBI A:HMW1001 1.4 15.1 0.5
FBK A:HMW1001 2.1 19.8 0.5
FBJ A:HMW1001 2.2 16.6 0.5
FBJ A:HMW1001 2.2 17.5 0.5
FBK A:HMW1001 2.2 16.1 0.5
CAL A:HMW1001 2.3 11.6 0.5
CAL A:HMW1001 2.3 14.1 0.5
CAM A:HMW1001 2.6 15.9 0.5
CAM A:HMW1001 2.6 16.4 0.5
CAK A:HMW1001 3.6 10.9 0.5
CAK A:HMW1001 3.6 12.7 0.5
CE2 A:PHE670 3.7 19.2 1.0
CE2 A:TYR735 3.7 12.8 1.0
CD1 A:LEU730 3.8 12.2 1.0
CD2 A:LEU730 3.8 14.3 1.0
CAN A:HMW1001 4.0 16.2 0.5
CAN A:HMW1001 4.0 16.2 0.5
CD2 A:PHE670 4.0 22.7 1.0
CD2 A:TYR735 4.1 12.1 1.0
CG A:LEU730 4.5 10.7 1.0
CZ A:TYR735 4.5 13.5 1.0
CD2 A:HIS737 4.5 12.8 1.0
CG2 A:ILE675 4.7 13.7 0.7
CZ A:PHE670 4.7 22.5 1.0
CG2 A:ILE675 4.7 13.1 0.3
CAJ A:HMW1001 4.7 12.0 0.5
CAJ A:HMW1001 4.7 11.6 0.5
OH A:TYR735 4.8 15.9 1.0
O A:HOH1131 4.8 15.5 1.0
CAO A:HMW1001 4.9 16.4 0.5
CAO A:HMW1001 4.9 16.4 0.5

Fluorine binding site 6 out of 6 in 6q7e

Go back to Fluorine Binding Sites List in 6q7e
Fluorine binding site 6 out of 6 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative ATDL14


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 ATDL14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:17.0
occ:0.49
 FBL A:HMW1001 0.0 17.0 0.5
FBL A:HMW1001 0.1 19.5 0.5
CBI A:HMW1001 1.4 17.3 0.5
CBI A:HMW1001 1.4 15.1 0.5
FBJ A:HMW1001 2.1 17.5 0.5
FBJ A:HMW1001 2.1 16.6 0.5
FBK A:HMW1001 2.2 19.8 0.5
FBK A:HMW1001 2.3 16.1 0.5
CAL A:HMW1001 2.3 11.6 0.5
CAL A:HMW1001 2.3 14.1 0.5
CAM A:HMW1001 2.6 15.9 0.5
CAM A:HMW1001 2.6 16.4 0.5
CAK A:HMW1001 3.6 10.9 0.5
CAK A:HMW1001 3.6 12.7 0.5
CE2 A:TYR735 3.6 12.8 1.0
CE2 A:PHE670 3.7 19.2 1.0
CD1 A:LEU730 3.8 12.2 1.0
CD2 A:LEU730 3.9 14.3 1.0
CAN A:HMW1001 4.0 16.2 0.5
CAN A:HMW1001 4.0 16.2 0.5
CD2 A:TYR735 4.1 12.1 1.0
CD2 A:PHE670 4.2 22.7 1.0
CZ A:TYR735 4.4 13.5 1.0
CD2 A:HIS737 4.4 12.8 1.0
CG A:LEU730 4.5 10.7 1.0
O A:HOH1131 4.7 15.5 1.0
OH A:TYR735 4.7 15.9 1.0
CAJ A:HMW1001 4.7 12.0 0.5
CAJ A:HMW1001 4.7 11.6 0.5
CZ A:PHE670 4.7 22.5 1.0
CG2 A:ILE675 4.8 13.7 0.7
CG2 A:ILE675 4.8 13.1 0.3
CAO A:HMW1001 4.9 16.4 0.5
CAO A:HMW1001 4.9 16.4 0.5
NE2 A:HIS737 4.9 12.0 1.0

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 00:41:10 2024

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