Fluorine in PDB 7pqs: SRPK1 in Complex with MSC2711186

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

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

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

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

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 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 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

M.Schroeder, M.Leiendecker, S.Knapp. SRPK1 in Complex with MSC2711186 To Be Published.