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Chlorine in PDB 2xsw: Crystal Structure of Human INPP5E

Enzymatic activity of Crystal Structure of Human INPP5E

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

Protein crystallography data

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

Chlorine Binding Sites:

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 2xsw

Go back to Chlorine Binding Sites List in 2xsw
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 2xsw

Go back to Chlorine Binding Sites List in 2xsw
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 2xsw

Go back to Chlorine Binding Sites List in 2xsw
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 2xsw

Go back to Chlorine Binding Sites List in 2xsw
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 2xsw

Go back to Chlorine Binding Sites List in 2xsw
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

Reference:

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.
Page generated: Sat Dec 12 09:26:54 2020

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