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Chlorine in PDB 2wo6: Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide

Enzymatic activity of Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide

All present enzymatic activity of Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide:
2.7.12.1;

Protein crystallography data

The structure of Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide, PDB code: 2wo6 was solved by A.K.Roos, M.Soundararajan, J.M.Elkins, O.Fedorov, J.Eswaran, C.Phillips, A.C.W.Pike, E.Ugochukwu, J.R.C.Muniz, N.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, M.Wikstrom, A.Edwards, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.50
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 168.430, 168.430, 62.420, 90.00, 90.00, 120.00
R / Rfree (%) 18.8 / 22.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide (pdb code 2wo6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide, PDB code: 2wo6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2wo6

Go back to Chlorine Binding Sites List in 2wo6
Chlorine binding site 1 out of 3 in the Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:38.9
occ:1.00
 CL1 A:D15600 0.0 38.9 1.0
CAY A:D15600 1.8 31.6 1.0
CAI A:D15600 2.7 28.0 1.0
CAO A:D15600 2.8 31.2 1.0
N A:GLY171 3.4 23.7 1.0
C A:GLY171 3.4 23.4 1.0
CA A:GLY171 3.6 23.7 1.0
O A:GLY171 3.7 23.6 1.0
N A:GLN172 3.7 23.0 1.0
CG A:LYS188 3.7 24.0 1.0
C A:PHE170 3.8 24.1 1.0
CE A:LYS188 3.8 29.5 1.0
CAH A:D15600 4.0 29.5 1.0
CBB A:D15600 4.1 30.2 1.0
O A:HOH2023 4.1 34.5 1.0
CD A:LYS188 4.2 26.5 1.0
CB A:PHE170 4.2 24.8 1.0
CA A:PHE170 4.4 24.6 1.0
O A:PHE170 4.4 23.7 1.0
CA A:GLN172 4.4 22.6 1.0
O A:HOH2032 4.5 25.7 1.0
C A:GLN172 4.6 22.1 1.0
CAL A:D15600 4.6 27.9 1.0
N A:PHE170 4.6 24.5 1.0
O A:GLN172 4.6 22.4 1.0
CG2 A:VAL173 4.8 19.5 1.0
CA A:GLY168 4.8 26.1 1.0
CD1 A:ILE190 4.9 17.7 1.0
N A:GLY168 5.0 26.0 1.0

Chlorine binding site 2 out of 3 in 2wo6

Go back to Chlorine Binding Sites List in 2wo6
Chlorine binding site 2 out of 3 in the Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl600

b:50.6
occ:1.00
 CL1 B:D15600 0.0 50.6 1.0
CAY B:D15600 1.8 45.4 1.0
CAI B:D15600 2.7 43.9 1.0
CAO B:D15600 2.8 44.8 1.0
O B:HOH2005 3.5 41.6 1.0
CE B:LYS188 3.6 29.1 1.0
N B:GLY171 3.7 23.9 1.0
C B:GLY171 3.7 23.4 1.0
O B:GLY171 3.9 23.4 1.0
CG B:LYS188 3.9 24.3 1.0
CA B:GLY171 4.0 23.4 1.0
CAH B:D15600 4.0 44.1 1.0
N B:GLN172 4.1 22.9 1.0
CBB B:D15600 4.1 44.9 1.0
C B:PHE170 4.1 24.3 1.0
CB B:PHE170 4.2 25.2 1.0
CD B:LYS188 4.2 26.6 1.0
CA B:PHE170 4.5 24.7 1.0
CAL B:D15600 4.6 43.4 1.0
CG2 B:VAL173 4.6 19.4 1.0
N B:PHE170 4.6 25.0 1.0
O B:GLN172 4.6 22.4 1.0
CA B:GLN172 4.7 22.5 1.0
C B:GLN172 4.7 22.1 1.0
CA B:GLY168 4.8 26.4 1.0
O B:PHE170 4.8 24.3 1.0
NZ B:LYS188 4.8 30.6 1.0

Chlorine binding site 3 out of 3 in 2wo6

Go back to Chlorine Binding Sites List in 2wo6
Chlorine binding site 3 out of 3 in the Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in Complex with A Consensus Substrate Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl700

b:47.3
occ:1.00
 O B:HOH2043 2.8 28.6 1.0
NZ B:LYS188 2.8 30.6 1.0
CE B:LYS188 2.9 29.1 1.0
NAT B:D15600 3.2 40.4 1.0
CAM B:D15600 3.6 38.0 1.0
CA B:ASP307 3.8 21.3 1.0
CB B:ASP307 3.8 22.2 1.0
N B:ASP307 3.9 20.9 1.0
CAZ B:D15600 3.9 37.9 1.0
CG B:ASP307 3.9 23.3 1.0
CAO B:D15600 3.9 44.8 1.0
CD B:LYS188 4.0 26.6 1.0
CAR B:D15600 4.1 45.9 1.0
CAX B:D15600 4.1 45.4 1.0
OD2 B:ASP307 4.2 26.2 1.0
CBF B:D15600 4.4 45.4 1.0
OD1 B:ASP307 4.4 24.1 1.0
O B:HOH2012 4.4 28.3 1.0
CBB B:D15600 4.5 44.9 1.0
CB B:VAL306 4.6 21.0 1.0
CG B:LYS188 4.6 24.3 1.0
CE2 B:PHE238 4.6 22.7 1.0
OE2 B:GLU203 4.7 23.9 1.0
CG2 B:VAL306 4.8 20.9 1.0
CAN B:D15600 4.8 36.5 1.0
CZ B:PHE238 4.9 23.4 1.0
C B:VAL306 4.9 20.3 1.0
CAY B:D15600 5.0 45.4 1.0

Reference:

M.Soundararajan, A.K.Roos, P.Savitsky, P.Filippakopoulos, A.N.Kettenbach, J.V.Olsen, S.A.Gerber, J.Eswaran, S.Knapp, J.M.Elkins. Structures of Down Syndrome Kinases, Dyrks, Reveal Mechanisms of Kinase Activation and Substrate Recognition. Structure V. 21 986 2013.
ISSN: ISSN 0969-2126
PubMed: 23665168
DOI: 10.1016/J.STR.2013.03.012
Page generated: Sat Jul 20 13:04:28 2024

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