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Chlorine in PDB 2vx3: Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A

Enzymatic activity of Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A

All present enzymatic activity of Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A:
2.7.12.1;

Protein crystallography data

The structure of Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A, PDB code: 2vx3 was solved by A.K.Roos, M.Soundararajan, A.C.W.Pike, O.Fedorov, O.King, N.Burgess-Brown, C.Philips, P.Filippakopoulos, C.H.Arrowsmith, M.Wikstrom, A.Edwards, F.Von Delft, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.00 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 264.203, 65.105, 140.282, 90.00, 115.44, 90.00
R / Rfree (%) 18.5 / 23

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A (pdb code 2vx3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A, PDB code: 2vx3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 2vx3

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Chlorine binding site 1 out of 12 in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A


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 the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:64.0
occ:1.00
 CL1 A:D15600 0.0 64.0 1.0
CAY A:D15600 1.7 44.0 1.0
CAI A:D15600 2.6 43.5 1.0
CAO A:D15600 2.8 32.6 1.0
C A:GLY171 3.4 24.7 1.0
O A:GLY171 3.5 27.6 1.0
N A:GLY171 3.6 30.1 1.0
N A:GLN172 3.7 25.1 1.0
O A:HOH2105 3.7 45.6 1.0
CE A:LYS188 3.8 42.4 1.0
CA A:GLY171 3.8 27.9 1.0
CG A:LYS188 3.8 31.9 1.0
CAH A:D15600 3.9 42.5 1.0
CBB A:D15600 4.0 38.8 1.0
C A:PHE170 4.2 30.8 1.0
C A:GLN172 4.2 26.6 1.0
O A:GLN172 4.2 29.3 1.0
CA A:GLN172 4.2 26.9 1.0
CG2 A:VAL173 4.3 26.7 1.0
CB A:PHE170 4.3 35.3 1.0
CD A:LYS188 4.4 37.8 1.0
CAL A:D15600 4.4 44.8 1.0
N A:GLY168 4.5 32.1 1.0
N A:PHE170 4.6 31.3 1.0
CA A:PHE170 4.6 32.2 1.0
CA A:GLY168 4.7 32.7 1.0
N A:VAL173 4.7 25.4 1.0
O A:PHE170 4.8 29.5 1.0
C A:GLY168 4.9 32.4 1.0

Chlorine binding site 2 out of 12 in 2vx3

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Chlorine binding site 2 out of 12 in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A


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 the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl620

b:45.4
occ:1.00
 NZ A:LYS188 3.1 38.2 1.0
NAT A:D15600 3.3 34.5 1.0
N A:ASP307 3.4 30.1 1.0
CAM A:D15600 3.5 37.2 1.0
CE A:LYS188 3.5 42.4 1.0
CA A:ASP307 3.6 30.2 1.0
CD A:LYS188 3.8 37.8 1.0
O A:HOH2009 3.9 45.1 1.0
CAZ A:D15600 3.9 34.2 1.0
CB A:ASP307 4.0 34.7 1.0
CB A:VAL306 4.2 26.2 1.0
CAR A:D15600 4.2 42.7 1.0
CAX A:D15600 4.3 34.6 1.0
CE2 A:PHE238 4.3 31.2 1.0
CAO A:D15600 4.3 32.6 1.0
OE2 A:GLU203 4.4 44.9 1.0
CG2 A:VAL306 4.4 17.5 1.0
CBF A:D15600 4.5 40.9 1.0
CZ A:PHE238 4.5 26.5 1.0
C A:VAL306 4.5 27.5 1.0
OD1 A:ASP307 4.6 39.6 1.0
CAN A:D15600 4.7 35.0 1.0
CG A:ASP307 4.7 39.7 1.0
CBB A:D15600 4.8 38.8 1.0
CA A:VAL306 4.8 25.2 1.0
CG A:LYS188 4.9 31.9 1.0
C A:ASP307 4.9 31.9 1.0

Chlorine binding site 3 out of 12 in 2vx3

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Chlorine binding site 3 out of 12 in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A


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 the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl600

b:55.2
occ:1.00
 CL1 B:D15600 0.0 55.2 1.0
CAY B:D15600 1.7 55.4 1.0
CAI B:D15600 2.6 45.4 1.0
CAO B:D15600 2.8 26.8 1.0
C B:GLY171 3.4 26.0 1.0
N B:GLY171 3.5 28.9 1.0
O B:GLY171 3.5 27.5 1.0
O B:HOH2052 3.6 55.3 1.0
CE B:LYS188 3.7 41.8 1.0
N B:GLN172 3.7 26.4 1.0
CA B:GLY171 3.8 25.9 1.0
CAH B:D15600 3.9 44.2 1.0
C B:PHE170 3.9 30.6 1.0
CG B:LYS188 4.0 31.3 1.0
CB B:PHE170 4.0 37.1 1.0
CBB B:D15600 4.0 43.7 1.0
CA B:GLN172 4.3 27.7 1.0
CD B:LYS188 4.3 37.0 1.0
C B:GLN172 4.4 27.9 1.0
CA B:PHE170 4.4 33.9 1.0
CAL B:D15600 4.4 43.2 1.0
O B:PHE170 4.4 30.8 1.0
CG2 B:VAL173 4.5 23.8 1.0
O B:GLN172 4.5 29.4 1.0
N B:PHE170 4.6 32.2 1.0
N B:GLY168 4.8 32.8 1.0
CA B:GLY168 4.9 34.2 1.0
N B:VAL173 4.9 28.9 1.0
NZ B:LYS188 4.9 38.9 1.0

Chlorine binding site 4 out of 12 in 2vx3

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Chlorine binding site 4 out of 12 in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A


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 the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl620

b:47.9
occ:1.00
 NAT B:D15600 3.2 41.4 1.0
NZ B:LYS188 3.3 38.9 1.0
N B:ASP307 3.5 27.8 1.0
CE B:LYS188 3.5 41.8 1.0
CA B:ASP307 3.5 30.3 1.0
CD B:LYS188 3.7 37.0 1.0
CAM B:D15600 3.7 31.8 1.0
O B:HOH2006 3.9 44.2 1.0
CAZ B:D15600 3.9 29.4 1.0
CB B:ASP307 4.0 36.4 1.0
CAR B:D15600 4.1 44.2 1.0
CAO B:D15600 4.1 26.8 1.0
CAX B:D15600 4.1 32.6 1.0
CE2 B:PHE238 4.2 30.0 1.0
CB B:VAL306 4.3 25.9 1.0
CBF B:D15600 4.3 40.9 1.0
OE2 B:GLU203 4.4 41.0 1.0
OD1 B:ASP307 4.5 40.3 1.0
CBB B:D15600 4.6 43.7 1.0
CZ B:PHE238 4.6 27.1 1.0
CG2 B:VAL306 4.6 20.0 1.0
C B:VAL306 4.6 28.5 1.0
CG B:ASP307 4.7 38.9 1.0
C B:ASP307 4.8 31.3 1.0
CG B:LYS188 4.9 31.3 1.0
CAN B:D15600 5.0 27.8 1.0
CD2 B:PHE238 5.0 27.2 1.0
CA B:VAL306 5.0 26.4 1.0

Chlorine binding site 5 out of 12 in 2vx3

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Chlorine binding site 5 out of 12 in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A


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 the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1485

b:59.2
occ:1.00
 N B:HIS424 3.4 32.4 1.0
NZ B:LYS453 3.5 46.2 1.0
CB B:HIS424 3.7 31.9 1.0
N B:LEU423 3.7 29.2 1.0
CD B:LYS453 3.9 42.1 1.0
CB B:LEU423 4.0 31.1 1.0
CE B:LYS453 4.1 42.7 1.0
CB B:LYS422 4.1 34.0 1.0
CA B:HIS424 4.1 31.9 1.0
CD B:LYS422 4.2 45.8 1.0
CA B:LEU423 4.2 31.4 1.0
C B:LEU423 4.2 32.0 1.0
C B:LYS422 4.4 32.7 1.0
CA B:LYS422 4.4 31.7 1.0
CD1 B:LEU457 4.5 28.8 1.0
CG B:LYS422 4.6 39.0 1.0
CG B:HIS424 4.7 40.0 1.0
CE B:LYS422 4.8 51.3 1.0
CG B:LYS453 4.8 36.5 1.0
NZ B:LYS422 4.8 52.7 1.0
ND1 B:HIS424 4.8 44.4 1.0

Chlorine binding site 6 out of 12 in 2vx3

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Chlorine binding site 6 out of 12 in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A


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 the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl600

b:73.5
occ:1.00
 CL1 C:D15600 0.0 73.5 1.0
CAY C:D15600 1.7 52.6 1.0
CAI C:D15600 2.6 53.9 1.0
CAO C:D15600 2.8 46.7 1.0
C C:GLY171 3.4 25.0 1.0
N C:GLY171 3.5 31.2 1.0
O C:GLY171 3.5 27.2 1.0
CE C:LYS188 3.6 41.1 1.0
O C:HOH2026 3.6 47.8 1.0
N C:GLN172 3.7 25.8 1.0
CG C:LYS188 3.8 30.9 1.0
CA C:GLY171 3.8 28.8 1.0
CAH C:D15600 3.9 55.2 1.0
CBB C:D15600 4.0 52.0 1.0
C C:PHE170 4.1 31.6 1.0
C C:GLN172 4.2 27.0 1.0
O C:GLN172 4.2 28.2 1.0
CD C:LYS188 4.2 38.6 1.0
CB C:PHE170 4.3 35.7 1.0
CA C:GLN172 4.3 26.8 1.0
N C:GLY168 4.3 34.5 1.0
CG2 C:VAL173 4.4 24.8 1.0
CAL C:D15600 4.4 44.1 1.0
CA C:PHE170 4.5 34.6 1.0
CA C:GLY168 4.6 34.2 1.0
N C:PHE170 4.6 34.4 1.0
N C:VAL173 4.7 26.4 1.0
O C:PHE170 4.8 33.5 1.0
C C:GLY168 4.8 33.4 1.0
O C:GLY168 5.0 36.0 1.0
NZ C:LYS188 5.0 39.5 1.0

Chlorine binding site 7 out of 12 in 2vx3

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Chlorine binding site 7 out of 12 in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl620

b:61.6
occ:1.00
 NZ C:LYS188 3.1 39.5 1.0
NAT C:D15600 3.3 45.1 1.0
N C:ASP307 3.4 29.4 1.0
CE C:LYS188 3.5 41.1 1.0
CAM C:D15600 3.5 51.5 1.0
CA C:ASP307 3.5 30.6 1.0
CAZ C:D15600 3.9 53.1 1.0
CB C:ASP307 3.9 34.8 1.0
CD C:LYS188 4.1 38.6 1.0
OE2 C:GLU203 4.1 43.6 1.0
CB C:VAL306 4.2 22.6 1.0
CAR C:D15600 4.2 67.0 1.0
CAX C:D15600 4.2 62.6 1.0
CAO C:D15600 4.3 46.7 1.0
CE2 C:PHE238 4.4 34.0 1.0
CZ C:PHE238 4.4 28.3 1.0
CBF C:D15600 4.5 58.6 1.0
C C:VAL306 4.5 29.7 1.0
CG2 C:VAL306 4.6 16.7 1.0
OD1 C:ASP307 4.6 38.9 1.0
CG C:ASP307 4.6 40.2 1.0
CAN C:D15600 4.7 42.6 1.0
CBB C:D15600 4.8 52.0 1.0
CA C:VAL306 4.9 25.6 1.0
CG C:LYS188 4.9 30.9 1.0
C C:ASP307 4.9 31.2 1.0

Chlorine binding site 8 out of 12 in 2vx3

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Chlorine binding site 8 out of 12 in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1485

b:75.1
occ:1.00
 CB C:GLU366 3.7 28.1 1.0
N C:GLU366 3.8 25.2 1.0
CG C:GLU366 3.9 34.5 1.0
NZ C:LYS393 4.0 36.9 1.0
CA C:GLU366 4.4 26.8 1.0
CB C:ASN365 4.4 19.5 1.0
CD C:GLU366 4.5 50.1 1.0
OE1 C:GLU366 4.6 45.1 1.0
O3P C:PTR321 4.7 34.5 1.0
CE C:LYS393 4.8 38.4 1.0
C C:ASN365 4.8 24.0 1.0
CA C:ASN365 4.9 24.7 1.0

Chlorine binding site 9 out of 12 in 2vx3

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Chlorine binding site 9 out of 12 in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl600

b:62.0
occ:1.00
 CL1 D:D15600 0.0 62.0 1.0
CAY D:D15600 1.7 40.4 1.0
CAI D:D15600 2.7 46.6 1.0
CAO D:D15600 2.7 39.3 1.0
C D:GLY171 3.4 26.2 1.0
O D:GLY171 3.4 24.9 1.0
N D:GLY171 3.5 31.4 1.0
N D:GLN172 3.7 26.5 1.0
CE D:LYS188 3.8 43.2 1.0
CA D:GLY171 3.9 29.0 1.0
CG D:LYS188 4.0 29.9 1.0
CAH D:D15600 4.0 36.6 1.0
CBB D:D15600 4.0 47.9 1.0
C D:PHE170 4.1 32.7 1.0
N D:GLY168 4.2 31.8 1.0
CA D:GLN172 4.2 27.0 1.0
CA D:GLY168 4.2 33.0 1.0
C D:GLN172 4.3 27.3 1.0
CB D:PHE170 4.3 37.6 1.0
N D:PHE170 4.4 33.2 1.0
CG2 D:VAL173 4.4 24.6 1.0
CD D:LYS188 4.5 35.6 1.0
CA D:PHE170 4.5 35.0 1.0
O D:GLN172 4.5 30.6 1.0
CAL D:D15600 4.5 40.3 1.0
C D:GLY168 4.6 33.5 1.0
N D:VAL173 4.7 28.0 1.0
O D:PHE170 4.8 33.3 1.0
O D:GLY168 4.8 35.2 1.0

Chlorine binding site 10 out of 12 in 2vx3

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Chlorine binding site 10 out of 12 in the Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Human Dual Specificity Tyrosine- Phosphorylation-Regulated Kinase 1A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl620

b:56.4
occ:1.00
 NZ D:LYS188 3.0 42.9 1.0
NAT D:D15600 3.1 43.9 1.0
N D:ASP307 3.4 29.4 1.0
CA D:ASP307 3.4 30.9 1.0
CE D:LYS188 3.5 43.2 1.0
CAM D:D15600 3.5 41.1 1.0
CB D:ASP307 3.6 36.5 1.0
CAZ D:D15600 3.8 51.1 1.0
CAR D:D15600 3.9 58.0 1.0
CAX D:D15600 3.9 47.8 1.0
CB D:VAL306 4.1 26.2 1.0
CBF D:D15600 4.2 46.4 1.0
CD D:LYS188 4.2 35.6 1.0
CAO D:D15600 4.3 39.3 1.0
CG D:ASP307 4.3 43.4 1.0
CG2 D:VAL306 4.4 18.3 1.0
OE2 D:GLU203 4.4 41.8 1.0
OD1 D:ASP307 4.4 40.8 1.0
C D:VAL306 4.4 27.6 1.0
CE2 D:PHE238 4.5 32.9 1.0
CZ D:PHE238 4.6 23.0 1.0
CBB D:D15600 4.7 47.9 1.0
CAN D:D15600 4.8 39.3 1.0
CA D:VAL306 4.8 26.4 1.0
C D:ASP307 4.8 32.8 1.0
OAC D:D15600 5.0 53.6 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 Dec 12 09:21:58 2020

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