Fluorine in PDB 8bio: Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5

Enzymatic activity of Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5

All present enzymatic activity of Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5, PDB code: 8bio was solved by R.Zhubi, M.Rak, A.Lucic, S.Knapp, A.Kraemer, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.46 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 32.84, 107.413, 40.651, 90, 109.04, 90
R / Rfree (%) 16.3 / 19.9

Other elements in 8bio:

The structure of Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5 (pdb code 8bio). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5, PDB code: 8bio:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 8bio

Go back to Fluorine Binding Sites List in 8bio
Fluorine binding site 1 out of 3 in the Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5


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 Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1012

b:31.1
occ:1.00
 F A:QRD1012 0.0 31.1 1.0
C9 A:QRD1012 1.2 27.1 1.0
F2 A:QRD1012 2.0 51.1 1.0
F1 A:QRD1012 2.1 46.0 1.0
C8 A:QRD1012 2.3 27.1 1.0
C7 A:QRD1012 2.8 23.5 1.0
N A:ASP757 3.2 20.4 1.0
OG A:SER756 3.3 13.7 0.5
CG2 A:ILE676 3.4 22.0 1.0
CD2 A:PHE758 3.4 27.6 1.0
C10 A:QRD1012 3.4 24.7 1.0
SD A:MET667 3.8 34.2 1.0
CA A:SER756 3.8 19.9 0.5
CA A:SER756 3.8 16.1 0.5
C A:SER756 3.8 18.5 0.5
CE2 A:PHE758 3.9 26.0 1.0
C A:SER756 3.9 20.8 0.5
CB A:SER756 4.0 22.2 0.5
N A:PHE758 4.0 25.6 1.0
CA A:ASP757 4.0 25.3 1.0
CE A:MET667 4.0 30.1 1.0
CB A:SER756 4.1 15.4 0.5
OE2 A:GLU663 4.1 41.9 1.0
C6 A:QRD1012 4.2 21.0 1.0
CG A:PHE758 4.4 26.9 1.0
C A:ASP757 4.4 25.0 1.0
CG A:MET667 4.4 31.8 1.0
C11 A:QRD1012 4.6 23.1 1.0
CB A:ILE676 4.6 20.5 1.0
O A:HOH1111 4.6 52.6 1.0
CB A:PHE758 4.7 27.0 1.0
CD A:GLU663 4.7 33.6 1.0
OG A:SER756 4.8 27.8 0.5
O A:SER756 4.9 18.4 0.5
C12 A:QRD1012 4.9 21.6 1.0
CG1 A:ILE676 4.9 23.8 1.0
CA A:PHE758 5.0 29.0 1.0

Fluorine binding site 2 out of 3 in 8bio

Go back to Fluorine Binding Sites List in 8bio
Fluorine binding site 2 out of 3 in the Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5


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 Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1012

b:46.0
occ:1.00
 F1 A:QRD1012 0.0 46.0 1.0
C9 A:QRD1012 1.3 27.1 1.0
F2 A:QRD1012 2.1 51.1 1.0
F A:QRD1012 2.1 31.1 1.0
C8 A:QRD1012 2.3 27.1 1.0
OE2 A:GLU663 2.5 41.9 1.0
N A:ASP757 2.9 20.4 1.0
CA A:ASP757 3.0 25.3 1.0
C7 A:QRD1012 3.1 23.5 1.0
N A:PHE758 3.1 25.6 1.0
O A:HOH1111 3.1 52.6 1.0
C10 A:QRD1012 3.3 24.7 1.0
CD A:GLU663 3.4 33.6 1.0
C A:ASP757 3.5 25.0 1.0
OG A:SER756 3.7 13.7 0.5
O A:HOH1128 4.0 32.4 1.0
OE1 A:GLU663 4.0 34.5 1.0
C A:SER756 4.1 18.5 0.5
C A:SER756 4.1 20.8 0.5
CB A:ASP757 4.2 32.0 1.0
CG A:GLU663 4.3 29.5 1.0
OD1 A:ASP757 4.3 53.4 1.0
CA A:PHE758 4.3 29.0 1.0
NZ A:LYS646 4.3 32.6 1.0
CD2 A:PHE758 4.3 27.6 1.0
CG A:ASP757 4.4 43.1 1.0
C6 A:QRD1012 4.4 21.0 1.0
C11 A:QRD1012 4.4 23.1 1.0
CB A:PHE758 4.6 27.0 1.0
N A:GLY759 4.6 37.5 1.0
CA A:SER756 4.7 19.9 0.5
CA A:SER756 4.7 16.1 0.5
CB A:SER756 4.7 22.2 0.5
O A:ASP757 4.8 30.4 1.0
CB A:SER756 4.8 15.4 0.5
C A:PHE758 4.8 31.6 1.0
SD A:MET667 4.9 34.2 1.0
CG A:PHE758 4.9 26.9 1.0
C12 A:QRD1012 4.9 21.6 1.0
O A:SER756 5.0 18.4 0.5

Fluorine binding site 3 out of 3 in 8bio

Go back to Fluorine Binding Sites List in 8bio
Fluorine binding site 3 out of 3 in the Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5


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 Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1012

b:51.1
occ:1.00
 F2 A:QRD1012 0.0 51.1 1.0
C9 A:QRD1012 1.3 27.1 1.0
F A:QRD1012 2.0 31.1 1.0
F1 A:QRD1012 2.1 46.0 1.0
C8 A:QRD1012 2.3 27.1 1.0
OE2 A:GLU663 2.6 41.9 1.0
C10 A:QRD1012 2.7 24.7 1.0
SD A:MET667 2.9 34.2 1.0
CD A:GLU663 2.9 33.6 1.0
CG A:GLU663 3.1 29.5 1.0
C7 A:QRD1012 3.6 23.5 1.0
OE1 A:GLU663 3.7 34.5 1.0
CD2 A:PHE758 3.7 27.6 1.0
N A:PHE758 3.7 25.6 1.0
CG A:MET667 3.7 31.8 1.0
CB A:PHE758 4.0 27.0 1.0
CE A:MET667 4.0 30.1 1.0
C11 A:QRD1012 4.1 23.1 1.0
CG A:PHE758 4.3 26.9 1.0
CA A:PHE758 4.3 29.0 1.0
N A:ASP757 4.3 20.4 1.0
CA A:ASP757 4.6 25.3 1.0
CB A:GLU663 4.6 28.5 1.0
C A:ASP757 4.6 25.0 1.0
CE2 A:PHE758 4.7 26.0 1.0
C6 A:QRD1012 4.8 21.0 1.0
C A:PHE758 4.8 31.6 1.0
O A:GLU663 4.9 26.2 1.0
CG2 A:ILE676 4.9 22.0 1.0
C12 A:QRD1012 4.9 21.6 1.0

Reference:

R.Zhubi, M.Rak, A.Lucic, S.Knapp, A.Kraemer, Structural Genomics Consortium (Sgc). Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with MRAL5 To Be Published.
Page generated: Fri Aug 2 16:50:11 2024

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