Chlorine in PDB 3cio: The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk

All present enzymatic activity of The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk:
2.7.10.2;

The structure of The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk, PDB code: 3cio was solved by D.C.Lee, J.Zheng, Z.Jia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.93 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.514, 51.731, 120.519, 90.00, 114.57, 90.00
R / Rfree (%)	19.6 / 25.4

The binding sites of Chlorine atom in the The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk (pdb code 3cio). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk, PDB code: 3cio:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl727 b:60.5 occ:1.00 NE1 A:TRP636 3.6 48.0 1.0 NE1 D:TRP636 3.6 44.7 1.0 NE2 A:HIS640 4.0 66.2 1.0 NE2 D:HIS640 4.1 61.5 1.0 CE1 D:HIS640 4.1 51.5 1.0 CD1 A:TRP636 4.2 46.7 1.0 CE1 A:HIS640 4.3 66.8 1.0 CD1 D:TRP636 4.4 51.2 1.0 CE2 D:TRP636 4.7 43.7 1.0 CE2 A:TRP636 4.7 52.7 1.0

Chlorine binding site 2 out of 3 in the The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl728 b:75.4 occ:1.00 O A:HOH739 2.7 71.0 1.0 O A:HOH730 2.8 64.0 1.0 O A:HOH746 3.5 63.2 1.0 CG A:LYS545 3.7 73.8 1.0 N A:GLY544 3.8 60.0 1.0 O A:HOH733 3.8 66.3 1.0 N A:LYS545 3.9 53.3 1.0 NZ A:LYS545 3.9 86.3 1.0 N A:SER543 4.0 67.7 1.0 N A:ASP542 4.2 70.6 1.0 OG A:SER543 4.2 76.3 1.0 OG1 A:THR546 4.2 57.4 1.0 CA A:ASP542 4.3 76.3 1.0 N A:THR546 4.3 45.5 1.0 CA A:GLY544 4.4 53.4 1.0 OH A:TYR574 4.5 70.9 1.0 CE A:LYS545 4.5 77.6 1.0 C A:GLY544 4.5 52.1 1.0 C A:ASP542 4.6 70.7 1.0 CB A:LYS545 4.6 57.1 1.0 CA A:LYS545 4.7 51.1 1.0 CD A:LYS545 4.7 76.3 1.0 C A:SER543 4.8 60.5 1.0 CA A:SER543 4.8 64.2 1.0 CE2 A:TYR574 4.9 52.2 1.0 CB A:THR546 4.9 44.1 1.0

Chlorine binding site 3 out of 3 in the The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Kinase Domain of Escherichia Coli Tyrosine Kinase Etk within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl727 b:0.0 occ:1.00 O D:HOH743 2.6 52.1 1.0 NZ D:LYS545 2.7 52.3 1.0 O D:HOH768 2.8 76.4 1.0 N D:ASP542 2.9 70.7 1.0 O D:HOH754 3.0 77.7 1.0 CE D:LYS545 3.0 63.4 1.0 CD D:LYS545 3.4 77.0 1.0 CA D:ASP542 3.5 74.5 1.0 C D:PRO541 3.8 65.4 1.0 CA D:PRO541 3.9 63.6 1.0 N D:SER543 4.4 61.4 1.0 CG D:PRO650 4.5 59.9 1.0 CG D:LYS545 4.6 70.4 1.0 C D:ASP542 4.6 66.4 1.0 CB D:ASP542 4.6 87.2 1.0 O D:HOH730 4.6 81.7 1.0 CB D:PRO541 4.7 56.9 1.0 O D:HOH756 4.8 70.8 1.0 NH1 D:ARG572 4.8 90.5 1.0 O D:THR540 4.8 71.8 1.0 O D:PRO541 5.0 63.4 1.0

D.C.Lee, J.Zheng, Y.M.She, Z.Jia. Structure of Escherichia Coli Tyrosine Kinase Etk Reveals A Novel Activation Mechanism. Embo J. V. 27 1758 2008.
ISSN: ISSN 0261-4189
PubMed: 18497741
DOI: 10.1038/EMBOJ.2008.97