Chlorine 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:

Fluorine	(F)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the SRPK1 in Complex with MSC2711186 (pdb code 7pqs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the SRPK1 in Complex with MSC2711186, PDB code: 7pqs:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the SRPK1 in Complex with MSC2711186


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of SRPK1 in Complex with MSC2711186 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:47.3 occ:1.00 CL A:80H601 0.0 47.3 1.0 C15 A:80H601 1.7 41.3 1.0 C14 A:80H601 2.7 39.6 1.0 C16 A:80H601 2.7 38.0 1.0 F A:80H601 2.9 36.0 1.0 CE1 A:HIS170 3.4 42.2 1.0 NE2 A:HIS170 3.6 41.6 1.0 CE2 A:TYR227 3.6 46.7 1.0 CD1 A:LEU231 3.6 53.1 1.0 OH A:TYR227 3.8 51.7 1.0 C13 A:80H601 4.0 39.1 1.0 C11 A:80H601 4.0 35.7 1.0 CD2 A:LEU86 4.1 47.5 1.0 ND1 A:HIS170 4.1 39.2 1.0 CZ A:TYR227 4.2 50.3 1.0 CD2 A:HIS170 4.4 40.1 1.0 C12 A:80H601 4.5 37.0 1.0 CD2 A:TYR227 4.6 46.2 1.0 CG A:HIS170 4.6 39.0 1.0

Chlorine binding site 2 out of 4 in the SRPK1 in Complex with MSC2711186


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of SRPK1 in Complex with MSC2711186 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:37.8 occ:1.00 O A:HOH790 2.7 66.9 1.0 N A:ASP280 3.1 33.4 1.0 N2 A:80H601 3.2 32.7 1.0 O A:HOH729 3.2 29.4 1.0 CA A:ASP280 3.6 35.5 1.0 CE2 A:PHE165 3.9 39.5 1.0 CB A:ALA279 3.9 33.1 1.0 C7 A:80H601 3.9 34.7 1.0 CZ A:PHE165 4.0 40.1 1.0 C5 A:80H601 4.0 35.0 1.0 C8 A:80H601 4.0 32.0 1.0 C18 A:80H601 4.1 32.8 1.0 C A:ALA279 4.2 32.8 1.0 NZ A:LYS109 4.2 42.2 1.0 CG2 A:VAL145 4.3 38.7 1.0 CA A:ALA279 4.3 32.3 1.0 C6 A:80H601 4.4 34.1 1.0 CB A:ASP280 4.4 37.3 1.0 CG1 A:VAL145 4.5 34.0 1.0 CD2 A:PHE165 4.5 37.6 1.0 CE1 A:PHE165 4.5 37.6 1.0 OE2 A:GLU124 4.6 38.1 1.0 CB A:VAL145 4.7 34.5 1.0 C A:ASP280 4.8 34.9 1.0 N A:LEU281 4.9 33.9 1.0

Chlorine binding site 3 out of 4 in the SRPK1 in Complex with MSC2711186


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of SRPK1 in Complex with MSC2711186 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:45.2 occ:1.00 CL B:80H503 0.0 45.2 1.0 C15 B:80H503 1.7 39.7 1.0 C14 B:80H503 2.7 38.4 1.0 C16 B:80H503 2.7 37.0 1.0 F B:80H503 2.9 35.6 1.0 CE1 B:HIS170 3.3 43.8 1.0 CE2 B:TYR227 3.5 47.0 1.0 NE2 B:HIS170 3.5 43.0 1.0 CD1 B:LEU231 3.6 52.1 1.0 OH B:TYR227 3.7 50.7 1.0 C13 B:80H503 4.0 36.8 1.0 C11 B:80H503 4.0 35.1 1.0 CZ B:TYR227 4.1 49.8 1.0 ND1 B:HIS170 4.1 40.8 1.0 CD2 B:LEU86 4.1 46.0 1.0 CD2 B:HIS170 4.4 41.6 1.0 C12 B:80H503 4.5 35.9 1.0 CD2 B:TYR227 4.6 46.4 1.0 CG B:HIS170 4.7 41.2 1.0 CG B:LEU231 4.9 53.4 1.0

Chlorine binding site 4 out of 4 in the SRPK1 in Complex with MSC2711186


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of SRPK1 in Complex with MSC2711186 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:40.1 occ:1.00 O B:HOH693 2.7 60.4 1.0 N B:ASP280 3.2 32.7 1.0 O B:HOH654 3.2 32.3 1.0 N2 B:80H503 3.2 33.4 1.0 CA B:ASP280 3.7 34.2 1.0 CB B:ALA279 3.9 33.4 1.0 CE2 B:PHE165 3.9 37.2 1.0 C5 B:80H503 3.9 35.3 1.0 C7 B:80H503 4.0 35.0 1.0 CZ B:PHE165 4.0 37.1 1.0 C18 B:80H503 4.1 32.2 1.0 C8 B:80H503 4.1 32.0 1.0 NZ B:LYS109 4.1 43.1 1.0 C B:ALA279 4.2 32.4 1.0 CG2 B:VAL145 4.2 36.6 1.0 CA B:ALA279 4.3 31.9 1.0 C6 B:80H503 4.4 34.9 1.0 CD2 B:PHE165 4.5 35.6 1.0 CG1 B:VAL145 4.5 32.3 1.0 CE1 B:PHE165 4.5 36.1 1.0 CB B:ASP280 4.6 35.9 1.0 CB B:VAL145 4.7 33.5 1.0 OE2 B:GLU124 4.7 37.0 1.0 C B:ASP280 4.9 33.9 1.0 CE B:LYS109 4.9 40.5 1.0 N B:LEU281 5.0 32.8 1.0 CG B:PHE165 5.0 35.0 1.0

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