Chlorine in PDB 2xsw: Crystal Structure of Human INPP5E

All present enzymatic activity of Crystal Structure of Human INPP5E:
3.1.3.36;

The structure of Crystal Structure of Human INPP5E, PDB code: 2xsw was solved by L.Tresaugues, P.Schutz, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, I.Johansson, T.Karlberg, S.Kol, T.Kotenyova, E.Kouznetsova, M.Moche, T.Nyman, C.Persson, H.Schuler, P.Schutz, M.I.Siponen, A.G.Thorsell, S.Van Der Berg, E.Wahlberg, J.Weigelt, M.Welin, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.468 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.528, 103.579, 137.545, 90.00, 90.00, 90.00
R / Rfree (%)	16.49 / 19.47

The binding sites of Chlorine atom in the Crystal Structure of Human INPP5E (pdb code 2xsw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Human INPP5E, PDB code: 2xsw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Human INPP5E


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human INPP5E within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1625 b:31.4 occ:1.00 N A:SER427 3.4 23.3 1.0 NZ A:LYS404 3.4 27.3 1.0 OG A:SER427 3.6 27.0 0.5 CE A:LYS404 3.7 22.7 1.0 CA A:THR426 3.8 18.1 1.0 CG2 A:VAL398 3.8 32.8 1.0 CG2 A:THR426 3.9 23.3 1.0 C A:THR426 4.1 22.1 1.0 CG A:LYS404 4.1 22.6 1.0 CB A:SER427 4.2 26.3 0.5 CD A:ARG396 4.3 30.8 1.0 CB A:SER427 4.3 26.2 0.5 CA A:SER427 4.3 25.6 0.5 CA A:SER427 4.3 25.5 0.5 CB A:THR426 4.4 24.1 1.0 CD A:LYS404 4.5 19.4 1.0 O A:SER427 4.5 30.0 1.0 O A:HOH2209 4.6 36.7 1.0 CG1 A:VAL398 4.6 38.1 1.0 OG1 A:THR426 4.8 25.0 1.0 CB A:VAL398 4.9 33.7 1.0 N A:THR426 4.9 16.7 1.0 C A:SER427 4.9 30.8 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Human INPP5E


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human INPP5E within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1627 b:32.0 occ:1.00 OG A:SER391 2.8 18.3 1.0 O A:HOH2061 2.8 32.6 1.0 O A:HOH2062 3.0 43.2 1.0 NH1 B:ARG441 3.1 36.4 1.0 NH2 B:ARG441 3.3 43.1 1.0 CB A:SER391 3.6 19.4 1.0 CA A:SER391 3.6 18.1 1.0 CZ B:ARG441 3.6 43.8 1.0 N A:THR392 3.7 18.6 1.0 CD2 B:LEU437 3.8 38.0 1.0 CG2 A:VAL447 4.1 23.7 1.0 O A:THR392 4.2 21.6 1.0 C A:SER391 4.2 16.1 1.0 NH1 A:ARG450 4.3 21.1 1.0 CB A:VAL447 4.3 24.9 1.0 CD1 B:LEU437 4.5 36.9 1.0 O A:CYS390 4.6 17.6 1.0 O A:HOH2060 4.6 49.5 1.0 CG B:LEU437 4.7 33.5 1.0 OG1 A:THR392 4.8 25.7 1.0 N A:VAL447 4.9 17.9 1.0 O A:HOH2106 4.9 38.6 1.0 CA A:THR392 4.9 20.1 1.0 N A:SER391 4.9 14.9 1.0 NE B:ARG441 5.0 42.1 1.0 C A:THR392 5.0 21.4 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Human INPP5E


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human INPP5E within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1628 b:26.7 occ:1.00 O A:HOH2072 3.0 27.0 1.0 O A:HOH2087 3.1 38.1 1.0 N A:GLU340 3.2 16.2 1.0 ND1 A:HIS424 3.2 19.7 1.0 O A:HOH2051 3.8 37.3 1.0 CA A:GLN339 3.9 15.5 1.0 CB A:HIS424 4.0 15.3 1.0 CG2 A:VAL370 4.0 31.8 1.0 CB A:GLN339 4.0 18.7 1.0 CG A:HIS424 4.0 17.6 1.0 C A:GLN339 4.0 15.8 1.0 CA A:GLU340 4.0 21.5 1.0 O A:VAL370 4.1 21.1 1.0 N A:LEU371 4.1 19.4 1.0 C A:VAL370 4.1 20.9 1.0 CB A:LEU371 4.2 21.7 1.0 CE1 A:HIS424 4.3 20.7 1.0 CG A:GLU340 4.3 24.9 1.0 CA A:LEU371 4.3 18.1 1.0 CD1 A:LEU371 4.4 21.8 1.0 O A:HOH2073 4.6 36.2 1.0 CB A:GLU340 4.8 22.3 1.0 CG A:GLN339 4.8 19.0 1.0 O A:THR403 4.8 27.0 1.0 CB A:VAL370 4.9 29.9 1.0 CG A:LEU371 4.9 25.5 1.0 CA A:VAL370 5.0 21.7 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Human INPP5E


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human INPP5E within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1624 b:34.6 occ:1.00 N B:SER427 3.2 26.9 1.0 CG1 B:VAL398 3.5 44.9 1.0 CE B:LYS404 3.5 30.1 1.0 NZ B:LYS404 3.5 30.3 1.0 OG B:SER427 3.6 49.9 1.0 CA B:THR426 3.7 22.3 1.0 CG2 B:THR426 3.7 35.0 1.0 C B:THR426 3.9 25.5 1.0 CG B:LYS404 4.0 25.7 1.0 CA B:SER427 4.2 32.1 1.0 CB B:SER427 4.2 36.3 1.0 CB B:THR426 4.3 33.1 1.0 CB B:VAL398 4.3 40.0 1.0 O B:SER427 4.4 34.5 1.0 CG2 B:VAL398 4.4 39.2 1.0 CD B:LYS404 4.4 24.8 1.0 CD B:ARG396 4.5 42.1 1.0 C B:SER427 4.7 35.9 1.0 N B:THR426 4.9 22.6 1.0 OG1 B:THR426 4.9 29.2 1.0 O B:PHE425 5.0 23.8 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Human INPP5E


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human INPP5E within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1625 b:27.9 occ:1.00 N B:GLU340 3.1 24.3 1.0 O B:HOH2068 3.2 26.5 1.0 O B:HOH2076 3.2 45.8 1.0 ND1 B:HIS424 3.2 21.6 1.0 O B:HOH2047 3.4 31.5 1.0 CA B:GLN339 3.9 22.0 1.0 CG2 B:VAL370 3.9 27.6 1.0 CA B:GLU340 3.9 23.8 1.0 C B:GLN339 4.0 24.7 1.0 CB B:GLN339 4.0 21.1 1.0 CG B:HIS424 4.1 21.3 1.0 CB B:HIS424 4.1 18.5 1.0 N B:LEU371 4.1 23.9 1.0 O B:VAL370 4.1 24.7 1.0 C B:VAL370 4.1 25.7 1.0 CB B:LEU371 4.1 23.5 1.0 CE1 B:HIS424 4.2 24.4 1.0 CA B:LEU371 4.3 19.7 1.0 CG B:GLU340 4.4 32.8 1.0 O B:THR403 4.5 26.1 1.0 CD1 B:LEU371 4.5 24.5 1.0 CB B:GLU340 4.8 29.9 1.0 CG B:GLN339 4.8 20.6 1.0 CB B:VAL370 4.9 32.6 1.0 O B:HOH2066 4.9 33.5 1.0 CA B:VAL370 4.9 28.3 1.0 CG B:LEU371 4.9 29.1 1.0 O B:HOH2067 4.9 31.3 1.0

L.Tresaugues, P.Schutz, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, I.Johansson, T.Karlberg, S.Kol, T.Kotenyova, E.Kouznetsova, M.Moche, T.Nyman, C.Persson, H.Schuler, M.I.Siponen, A.G.Thorsell, S.Van Der Berg, E.Wahlberg, J.Weigelt, M.Welin, P.Nordlund. Crystal Structure of Human INPP5E To Be Published.