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Fluorine in PDB 7pqs: SRPK1 in Complex with MSC2711186

Enzymatic activity of SRPK1 in Complex with MSC2711186

All present enzymatic activity of SRPK1 in Complex with MSC2711186:
2.7.11.1;

Protein crystallography data

The structure of SRPK1 in Complex with MSC2711186, PDB code: 7pqs was solved by M.Schroeder, M.Leiendecker, S.Knapp, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.86 / 2.20
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 75.132, 75.132, 309.709, 90, 90, 120
R / Rfree (%) 19.9 / 23.6

Other elements in 7pqs:

The structure of SRPK1 in Complex with MSC2711186 also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the SRPK1 in Complex with MSC2711186 (pdb code 7pqs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the SRPK1 in Complex with MSC2711186, PDB code: 7pqs:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7pqs

Go back to Fluorine Binding Sites List in 7pqs
Fluorine binding site 1 out of 2 in the SRPK1 in Complex with MSC2711186


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of SRPK1 in Complex with MSC2711186 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:36.0
occ:1.00
F A:80H601 0.0 36.0 1.0
C16 A:80H601 1.3 38.0 1.0
C15 A:80H601 2.4 41.3 1.0
C11 A:80H601 2.4 35.7 1.0
CL A:80H601 2.9 47.3 1.0
N4 A:80H601 3.0 35.4 1.0
CG1 A:VAL167 3.1 40.0 1.0
CA A:GLY169 3.4 37.2 1.0
N A:GLY169 3.6 36.4 1.0
C12 A:80H601 3.6 37.0 1.0
C14 A:80H601 3.6 39.6 1.0
CG2 A:VAL223 3.8 46.8 1.0
C A:GLY169 4.1 37.4 1.0
C13 A:80H601 4.1 39.1 1.0
C10 A:80H601 4.2 35.2 1.0
O A:GLY169 4.3 36.2 1.0
CD1 A:LEU86 4.5 45.2 1.0
CD2 A:LEU86 4.6 47.5 1.0
N5 A:80H601 4.6 35.8 1.0
CB A:VAL167 4.6 39.1 1.0
N A:LEU168 4.8 37.5 1.0
C A:LEU168 4.8 38.7 1.0
CG1 A:VAL223 4.9 46.7 1.0
C A:VAL167 4.9 39.2 1.0
CE2 A:TYR227 4.9 46.7 1.0
N A:HIS170 4.9 38.6 1.0

Fluorine binding site 2 out of 2 in 7pqs

Go back to Fluorine Binding Sites List in 7pqs
Fluorine binding site 2 out of 2 in the SRPK1 in Complex with MSC2711186


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of SRPK1 in Complex with MSC2711186 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F503

b:35.6
occ:1.00
F B:80H503 0.0 35.6 1.0
C16 B:80H503 1.3 37.0 1.0
C15 B:80H503 2.4 39.7 1.0
C11 B:80H503 2.4 35.1 1.0
CL B:80H503 2.9 45.2 1.0
N4 B:80H503 3.0 34.9 1.0
CG1 B:VAL167 3.1 39.4 1.0
CA B:GLY169 3.4 38.4 1.0
C12 B:80H503 3.6 35.9 1.0
C14 B:80H503 3.6 38.4 1.0
N B:GLY169 3.6 36.7 1.0
CG2 B:VAL223 3.8 46.9 1.0
C B:GLY169 4.1 38.2 1.0
C13 B:80H503 4.1 36.8 1.0
C10 B:80H503 4.2 34.6 1.0
O B:GLY169 4.3 36.4 1.0
CD2 B:LEU86 4.5 46.0 1.0
CD1 B:LEU86 4.6 44.2 1.0
N5 B:80H503 4.6 33.8 1.0
CB B:VAL167 4.6 39.2 1.0
CE2 B:TYR227 4.8 47.0 1.0
N B:LEU168 4.8 36.6 1.0
CG1 B:VAL223 4.8 46.8 1.0
C B:LEU168 4.9 38.0 1.0
C B:VAL167 4.9 39.0 1.0
N B:HIS170 5.0 38.6 1.0
CB B:VAL223 5.0 46.9 1.0

Reference:

M.Schroeder, M.Leiendecker, S.Knapp. SRPK1 in Complex with MSC2711186 To Be Published.
Page generated: Fri Dec 17 09:13:05 2021

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