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Chlorine in PDB 2jdt: Structure of Pka-Pkb Chimera Complexed with Isoquinoline-5- Sulfonic Acid (2-(2-(4-Chlorobenzyloxy) Ethylamino)Ethyl) Amide

Enzymatic activity of Structure of Pka-Pkb Chimera Complexed with Isoquinoline-5- Sulfonic Acid (2-(2-(4-Chlorobenzyloxy) Ethylamino)Ethyl) Amide

All present enzymatic activity of Structure of Pka-Pkb Chimera Complexed with Isoquinoline-5- Sulfonic Acid (2-(2-(4-Chlorobenzyloxy) Ethylamino)Ethyl) Amide:
2.7.11.11;

Protein crystallography data

The structure of Structure of Pka-Pkb Chimera Complexed with Isoquinoline-5- Sulfonic Acid (2-(2-(4-Chlorobenzyloxy) Ethylamino)Ethyl) Amide, PDB code: 2jdt was solved by T.G.Davies, M.L.Verdonk, B.Graham, S.Saalau-Bethell, C.C.F.Hamlett, T.Mchardy, I.Collins, M.D.Garrett, P.Workman, S.J.Woodhead, H.Jhoti, D.Barford, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.88 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.863, 75.563, 80.097, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 25.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Pka-Pkb Chimera Complexed with Isoquinoline-5- Sulfonic Acid (2-(2-(4-Chlorobenzyloxy) Ethylamino)Ethyl) Amide (pdb code 2jdt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Pka-Pkb Chimera Complexed with Isoquinoline-5- Sulfonic Acid (2-(2-(4-Chlorobenzyloxy) Ethylamino)Ethyl) Amide, PDB code: 2jdt:

Chlorine binding site 1 out of 1 in 2jdt

Go back to Chlorine Binding Sites List in 2jdt
Chlorine binding site 1 out of 1 in the Structure of Pka-Pkb Chimera Complexed with Isoquinoline-5- Sulfonic Acid (2-(2-(4-Chlorobenzyloxy) Ethylamino)Ethyl) Amide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Pka-Pkb Chimera Complexed with Isoquinoline-5- Sulfonic Acid (2-(2-(4-Chlorobenzyloxy) Ethylamino)Ethyl) Amide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1351

b:45.4
occ:1.00
 CL1 A:I5S1351 0.0 45.4 1.0
C2 A:I5S1351 1.7 52.9 1.0
C30 A:I5S1351 2.7 52.9 1.0
C3 A:I5S1351 2.7 51.6 1.0
C A:GLY55 3.3 35.2 1.0
N A:ARG56 3.3 36.8 1.0
O A:GLY55 3.5 32.2 1.0
C A:ARG56 3.7 36.1 1.0
CA A:ARG56 3.7 39.8 1.0
O A:ARG56 3.7 29.4 1.0
CD2 A:LEU74 3.8 24.2 1.0
CA A:GLY55 3.8 33.7 1.0
C4 A:I5S1351 3.9 53.8 1.0
C29 A:I5S1351 3.9 54.3 1.0
CD A:LYS72 4.0 29.4 1.0
CG A:LYS72 4.0 29.2 1.0
CE A:LYS72 4.1 27.1 1.0
CG2 A:VAL57 4.2 24.9 1.0
O A:HOH2041 4.3 39.5 1.0
N A:VAL57 4.3 32.1 1.0
N A:GLY55 4.4 35.2 1.0
C5 A:I5S1351 4.4 55.3 1.0
O A:HOH2143 4.5 39.4 1.0
N A:GLY52 4.6 45.4 1.0
O A:ILE73 4.6 28.4 1.0
NZ A:LYS72 4.6 27.6 1.0
CA A:GLY52 4.9 42.3 1.0

Reference:

T.G.Davies, M.L.Verdonk, B.Graham, S.Saalau-Bethell, C.C.F.Hamlett, T.Mchardy, I.Collins, M.D.Garrett, P.Workman, S.J.Woodhead, H.Jhoti, D.Barford. A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera J.Mol.Biol. V. 367 882 2007.
ISSN: ISSN 0022-2836
PubMed: 17275837
DOI: 10.1016/J.JMB.2007.01.004
Page generated: Sat Jul 20 08:49:29 2024

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