Atomistry » Chlorine » PDB 2cie-2dch » 2cmw
Atomistry »
  Chlorine »
    PDB 2cie-2dch »
      2cmw »

Chlorine in PDB 2cmw: Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine

Enzymatic activity of Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine

All present enzymatic activity of Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine:
2.7.11.1;

Protein crystallography data

The structure of Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine, PDB code: 2cmw was solved by G.Bunkoczi, P.Rellos, S.Das, P.Savitsky, F.Niesen, F.Sobott, O.Fedorov, A.C.W.Pike, F.Von Delft, M.Sundstrom, C.Arrowsmith, A.Edwards, J.Weigelt, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.219, 57.166, 129.229, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 20.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine (pdb code 2cmw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine, PDB code: 2cmw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2cmw

Go back to Chlorine Binding Sites List in 2cmw
Chlorine binding site 1 out of 3 in the Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1340

b:21.3
occ:1.00
CL A:OLP1340 0.0 21.3 1.0
CAQ A:OLP1340 1.7 17.6 1.0
CAH A:OLP1340 2.7 19.2 1.0
CAF A:OLP1340 2.7 18.1 1.0
O A:PRO334 3.2 29.6 1.0
C A:PRO334 3.4 32.2 1.0
N A:PRO336 3.6 31.9 1.0
CB A:PRO334 3.7 29.1 1.0
C A:THR335 3.7 35.3 1.0
N A:THR335 3.7 29.3 1.0
CD A:PRO336 3.8 30.0 1.0
CA A:THR335 3.8 33.5 1.0
N A:PRO123 3.9 28.0 1.0
CD A:PRO123 4.0 30.4 1.0
CAR A:OLP1340 4.0 15.8 1.0
CAE A:OLP1340 4.0 22.7 1.0
C A:GLY122 4.2 26.9 1.0
CB A:PRO123 4.2 29.7 1.0
CA A:PRO123 4.2 28.6 1.0
CA A:PRO334 4.2 25.8 1.0
O A:HOH2121 4.3 35.7 1.0
CA A:PRO336 4.3 30.3 1.0
O A:THR335 4.4 39.3 1.0
CAG A:OLP1340 4.5 19.1 1.0
CA A:GLY122 4.5 26.4 1.0
CB A:PRO336 4.5 30.2 1.0
O A:HOH2276 4.5 22.2 1.0
CG A:PRO336 4.6 30.6 1.0
CG A:PRO123 4.6 28.5 1.0
O A:GLY122 4.7 26.9 1.0
O A:HOH2113 4.9 17.3 1.0
CG A:PRO334 5.0 35.6 1.0

Chlorine binding site 2 out of 3 in 2cmw

Go back to Chlorine Binding Sites List in 2cmw
Chlorine binding site 2 out of 3 in the Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1341

b:26.6
occ:1.00
CL A:OLP1341 0.0 26.6 1.0
CAQ A:OLP1341 1.7 21.6 1.0
CAH A:OLP1341 2.7 20.4 1.0
CAF A:OLP1341 2.7 26.4 1.0
CE A:LYS62 3.6 44.5 1.0
CAR A:OLP1341 4.0 18.2 1.0
CAE A:OLP1341 4.0 24.0 1.0
C8 A:OLP1342 4.2 19.1 1.0
CG2 A:VAL46 4.2 30.9 1.0
NZ A:LYS62 4.3 36.4 1.0
CD2 A:LEU64 4.4 25.8 1.0
CB A:LYS62 4.4 30.5 1.0
CAG A:OLP1341 4.5 21.5 1.0
N7 A:OLP1342 4.6 20.1 1.0
CAB A:OLP1342 4.8 34.6 1.0
CD A:LYS62 4.8 41.0 1.0

Chlorine binding site 3 out of 3 in 2cmw

Go back to Chlorine Binding Sites List in 2cmw
Chlorine binding site 3 out of 3 in the Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2- Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1342

b:23.0
occ:1.00
CL A:OLP1342 0.0 23.0 1.0
CAQ A:OLP1342 1.7 19.7 1.0
CAF A:OLP1342 2.7 22.0 1.0
CAH A:OLP1342 2.7 16.0 1.0
CG A:ASN63 3.3 29.9 1.0
ND2 A:ASN63 3.5 28.6 1.0
CB A:ASN63 3.5 26.8 1.0
OD1 A:ASN63 3.7 28.9 1.0
CB A:TYR105 3.8 32.1 1.0
CG A:TYR105 3.8 31.3 1.0
C8 A:OLP1341 3.8 20.1 1.0
CD2 A:TYR105 4.0 31.0 1.0
CA A:ASN63 4.0 25.6 1.0
CAE A:OLP1342 4.0 20.9 1.0
CAR A:OLP1342 4.0 18.4 1.0
CAB A:OLP1341 4.1 28.7 1.0
N7 A:OLP1341 4.2 18.7 1.0
N9 A:OLP1341 4.3 16.9 1.0
CG1 A:VAL70 4.3 27.2 1.0
CD1 A:TYR105 4.4 35.3 1.0
CG1 A:VAL117 4.5 29.8 1.0
CAG A:OLP1342 4.5 20.7 1.0
CE2 A:TYR105 4.7 31.0 1.0
CAW A:OLP1341 4.8 28.8 1.0
N A:ASN63 4.8 26.0 1.0
C5 A:OLP1341 4.8 19.3 1.0
C4 A:OLP1341 4.9 19.7 1.0
CG2 A:VAL70 4.9 30.4 1.0
O A:LYS62 5.0 26.9 1.0

Reference:

G.Bunkoczi, P.Rellos, S.Das, P.Savitsky, F.Niesen, F.Sobott, O.Fedorov, A.C.W.Pike, F.Von Delft, M.Sundstrom, C.Arrowsmith, A.Edwards, J.Weigelt, S.Knapp. Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2-Hydroxyethylamino)-6-(3-Chloroanilino) -9-Isopropylpurine (Casp Target) To Be Published.
Page generated: Sat Jul 20 06:22:15 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy