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Chlorine in PDB 4aot: Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A

Enzymatic activity of Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A

All present enzymatic activity of Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A, PDB code: 4aot was solved by J.M.Elkins, E.Salah, M.Szklarz, P.Canning, F.Von Delft, W.Yue, Y.Liu, C.Bountra, C.Arrowsmith, A.Edwards, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 75.40 / 2.33
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.690, 87.510, 148.590, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 25.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A (pdb code 4aot). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A, PDB code: 4aot:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4aot

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Chlorine binding site 1 out of 6 in the Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A


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 Serine Threonine Kinase-10 (Lok) Bound to GW830263A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1315

b:43.3
occ:1.00
 NH1 A:ARG244 3.5 57.3 1.0
CD A:LYS248 3.6 53.4 1.0
CB A:LYS248 4.1 50.1 1.0
CA A:LYS248 4.3 49.7 1.0
CB A:ARG244 4.4 48.3 1.0
CD A:ARG244 4.4 53.6 1.0
CG A:LEU247 4.4 55.9 1.0
CG A:LYS248 4.4 50.6 1.0
N A:LYS248 4.5 49.2 1.0
O A:ARG244 4.5 44.0 1.0
CD2 A:LEU247 4.5 58.5 1.0
CZ A:ARG244 4.6 58.5 1.0
CG A:ARG244 4.7 51.4 1.0
CD1 A:LEU240 4.7 52.0 1.0
CE A:LYS248 4.8 55.3 1.0
NZ A:LYS248 4.8 57.3 1.0
CB A:LEU247 4.9 52.7 1.0
NE A:ARG244 4.9 56.7 1.0

Chlorine binding site 2 out of 6 in 4aot

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Chlorine binding site 2 out of 6 in the Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A


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 Serine Threonine Kinase-10 (Lok) Bound to GW830263A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1316

b:41.2
occ:1.00
 O A:HOH2047 3.3 24.7 1.0
CE A:LYS217 3.7 35.3 1.0
CD A:LYS217 3.9 33.5 1.0
CB A:SER284 3.9 33.0 1.0
CB A:TYR216 3.9 28.6 1.0
CA A:SER284 4.3 33.1 1.0
CD2 A:TYR216 4.4 28.4 1.0
CG A:LYS217 4.4 32.6 1.0
CG A:TYR216 4.6 27.7 1.0
O A:HOH2045 4.8 43.9 1.0
N A:LYS217 4.8 32.3 1.0
C A:TYR216 4.9 31.1 1.0
ND1 A:HIS149 4.9 25.6 1.0
CA A:TYR216 5.0 30.0 1.0

Chlorine binding site 3 out of 6 in 4aot

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Chlorine binding site 3 out of 6 in the Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A


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 Serine Threonine Kinase-10 (Lok) Bound to GW830263A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1317

b:48.3
occ:1.00
 O A:HOH2069 3.0 57.3 1.0
OD2 A:ASP269 3.9 63.4 1.0
CG A:PRO292 3.9 59.0 1.0
CE1 A:HIS291 3.9 54.1 1.0
NE2 A:HIS291 4.0 54.7 1.0
CG A:ASP269 4.1 60.9 1.0
CB A:ASP269 4.1 58.9 1.0
CA A:GLU266 4.2 59.1 1.0
CD A:PRO292 4.4 56.2 1.0
CG A:GLU266 4.5 63.2 1.0
CB A:PRO292 4.5 58.4 1.0
N A:GLU266 4.8 61.3 1.0
OD1 A:ASP269 4.8 63.9 1.0
CB A:GLU266 4.8 59.9 1.0
OE2 A:GLU266 4.9 72.4 1.0
O A:VAL265 4.9 62.3 1.0
ND1 A:HIS291 4.9 51.7 1.0
O A:GLU266 5.0 51.7 1.0

Chlorine binding site 4 out of 6 in 4aot

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Chlorine binding site 4 out of 6 in the Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A


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 Serine Threonine Kinase-10 (Lok) Bound to GW830263A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1318

b:58.7
occ:1.00
 OH A:TYR100 3.6 22.5 1.0
CZ A:TYR100 3.9 23.4 1.0
CE1 A:TYR100 3.9 22.9 1.0
N A:GLY98 4.1 17.2 1.0
CA A:GLY98 4.1 17.1 1.0
O A:HOH2039 4.2 36.7 1.0
CG A:MET109 4.2 17.2 1.0
CB A:LEU97 4.3 17.7 1.0
C A:LEU97 4.3 17.4 1.0
C A:GLY98 4.4 17.4 1.0
O A:LEU97 4.4 17.1 1.0
NE1 A:TRP36 4.4 20.1 1.0
CB A:MET109 4.6 16.6 1.0
O A:GLY98 4.6 18.2 1.0
CZ2 A:TRP36 4.7 18.8 1.0
CE2 A:TYR100 4.9 23.9 1.0
CD1 A:TYR100 4.9 22.7 1.0
CE2 A:TRP36 5.0 19.1 1.0
CA A:LEU97 5.0 17.4 1.0
N A:ALA99 5.0 17.9 1.0

Chlorine binding site 5 out of 6 in 4aot

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Chlorine binding site 5 out of 6 in the Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A


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 Serine Threonine Kinase-10 (Lok) Bound to GW830263A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1315

b:36.7
occ:1.00
 O B:HOH2037 3.1 46.1 1.0
N B:SER179 3.9 48.7 1.0
O B:HOH2034 4.0 50.0 1.0
OG B:SER179 4.0 51.7 1.0
CA B:GLY194 4.0 62.8 1.0
CE B:LYS159 4.2 40.6 1.0
CB B:SER179 4.4 51.3 1.0
CG1 B:VAL178 4.4 51.2 1.0
CA B:VAL178 4.5 49.4 1.0
O B:HOH2009 4.5 46.7 1.0
CE B:LYS181 4.5 69.7 1.0
N B:GLY194 4.6 70.2 1.0
CD B:LYS159 4.7 40.0 1.0
C B:VAL178 4.7 48.7 1.0
CA B:SER179 4.8 50.6 1.0
NZ B:LYS181 4.8 70.2 1.0
C B:GLY194 4.9 59.9 1.0
CB B:VAL178 5.0 51.6 1.0

Chlorine binding site 6 out of 6 in 4aot

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Chlorine binding site 6 out of 6 in the Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1316

b:28.8
occ:1.00
 NH1 B:ARG244 3.6 52.0 1.0
CD B:LYS248 4.0 51.4 1.0
CB B:ARG244 4.0 48.1 1.0
CB B:LYS248 4.2 48.5 1.0
O B:ARG244 4.2 46.9 1.0
CG B:LEU247 4.3 53.4 1.0
CD B:ARG244 4.3 50.6 1.0
N B:LYS248 4.3 48.3 1.0
CA B:LYS248 4.4 48.3 1.0
CG B:ARG244 4.5 49.6 1.0
CD2 B:LEU247 4.5 53.6 1.0
CB B:LEU247 4.6 50.8 1.0
CZ B:ARG244 4.7 52.9 1.0
CG B:LYS248 4.7 48.8 1.0
C B:LEU247 4.9 49.3 1.0
CD1 B:LEU240 4.9 52.9 1.0
CA B:ARG244 5.0 47.5 1.0
NE B:ARG244 5.0 52.2 1.0
C B:ARG244 5.0 46.3 1.0

Reference:

J.M.Elkins, E.Salah, M.Szklarz, P.Canning, F.Von Delft, W.Yue, Y.Liu, C.Bountra, C.Arrowsmith, A.Edwards, S.Knapp. Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to GW830263A To Be Published.
Page generated: Sat Dec 12 10:24:04 2020

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