Chlorine in PDB 2vlg: Kina Pas-A Domain, Homodimer

All present enzymatic activity of Kina Pas-A Domain, Homodimer:
2.7.13.3;

The structure of Kina Pas-A Domain, Homodimer, PDB code: 2vlg was solved by J.Lee, D.R.Tomchick, C.A.Brautigam, M.Machius, R.Kort, K.J.Hellingwerf, K.H.Gardner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.568, 55.516, 78.879, 90.00, 109.01, 90.00
R / Rfree (%)	19.8 / 24.3

The binding sites of Chlorine atom in the Kina Pas-A Domain, Homodimer (pdb code 2vlg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Kina Pas-A Domain, Homodimer, PDB code: 2vlg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Kina Pas-A Domain, Homodimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Kina Pas-A Domain, Homodimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1115 b:44.0 occ:1.00 O A:HOH2006 2.3 41.2 1.0 OH A:TYR29 3.0 23.9 1.0 OH B:TYR29 3.1 25.9 1.0 CE2 A:TYR29 3.8 21.4 1.0 CE2 B:TYR29 3.8 21.7 1.0 CZ A:TYR29 3.9 22.6 1.0 CZ B:TYR29 3.9 23.9 1.0 CB B:SER31 4.0 21.2 1.0 CD2 B:HIS18 4.0 24.1 1.0 CB A:SER31 4.0 21.5 1.0 CD2 A:HIS18 4.1 23.7 1.0 CB B:HIS18 4.1 22.2 1.0 CB A:HIS18 4.2 22.3 1.0 CG B:HIS18 4.2 20.8 1.0 CG A:HIS18 4.3 20.5 1.0 O B:HOH2009 4.6 21.9 0.5 O A:HOH2017 4.7 27.7 1.0 O B:HOH2008 4.7 21.3 0.5 O A:HOH2016 4.8 28.1 1.0 CA B:SER31 4.8 21.2 1.0 CA A:SER31 4.9 19.9 1.0 OG A:SER31 4.9 22.5 1.0 OG B:SER31 5.0 24.1 1.0

Chlorine binding site 2 out of 4 in the Kina Pas-A Domain, Homodimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Kina Pas-A Domain, Homodimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1116 b:68.8 occ:1.00 O B:HOH2022 3.4 35.4 1.0 O B:HOH2031 3.7 43.3 1.0 CA B:GLU63 3.9 25.7 1.0 CB B:GLU63 4.2 24.7 1.0 N B:GLU63 4.2 23.0 1.0 CB B:LEU50 4.3 29.0 1.0 O B:HOH2034 4.3 36.2 1.0 CD2 B:LEU50 4.4 30.4 1.0 CG1 B:VAL62 4.4 27.5 1.0 N B:LYS51 4.5 29.9 1.0 CA B:GLY25 4.6 29.9 1.0 C B:VAL62 4.6 24.6 1.0 CG B:LEU50 4.7 29.1 1.0 CD1 B:LEU21 4.7 26.6 1.0 O B:VAL62 4.7 23.1 1.0 CG B:GLU63 4.8 29.0 1.0

Chlorine binding site 3 out of 4 in the Kina Pas-A Domain, Homodimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Kina Pas-A Domain, Homodimer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1115 b:54.7 occ:1.00 O C:HOH2014 3.2 37.0 1.0 O C:HOH2011 3.7 45.7 1.0 OE1 C:GLN42 3.8 19.5 1.0 CD C:GLN42 3.9 22.3 1.0 NE2 C:GLN42 4.0 18.7 1.0 CD1 C:ILE46 4.3 21.9 1.0 CE1 C:TYR29 4.5 19.0 1.0 O C:HOH2020 4.8 47.8 1.0 CG C:GLN42 4.8 19.9 1.0 CD1 C:TYR29 4.8 18.5 1.0 O C:HOH2032 4.8 28.9 1.0 O C:HOH2008 4.9 42.1 1.0

Chlorine binding site 4 out of 4 in the Kina Pas-A Domain, Homodimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Kina Pas-A Domain, Homodimer within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1115 b:54.1 occ:1.00 O D:HOH2039 2.6 44.0 1.0 ND1 A:HIS71 2.9 26.6 1.0 O A:HOH2052 3.1 41.8 1.0 O A:GLU69 3.7 28.4 1.0 CB A:HIS71 3.7 22.3 1.0 CG A:HIS71 3.7 25.1 1.0 CE1 A:HIS71 4.0 26.9 1.0 CB A:VAL93 4.0 25.8 1.0 N A:HIS71 4.1 21.1 1.0 CG1 A:VAL93 4.1 29.2 1.0 OE1 D:GLU63 4.2 33.1 1.0 O D:HOH2041 4.3 24.3 1.0 CA A:HIS71 4.5 21.7 1.0 OE2 D:GLU63 4.6 35.0 1.0 CG2 A:VAL93 4.6 25.7 1.0 NZ D:LYS51 4.6 20.1 0.5 CD D:GLU63 4.8 33.1 1.0 C A:GLU69 4.8 28.9 1.0 C A:HIS70 4.9 22.3 1.0 O A:VAL93 4.9 28.4 1.0 CD2 A:HIS71 4.9 27.5 1.0 O A:HIS71 4.9 20.8 1.0

J.Lee, D.R.Tomchick, C.A.Brautigam, M.Machius, R.Kort, K.J.Hellingwerf, K.H.Gardner. Changes at the Kina Pas-A Dimerization Interface Influence Histidine Kinase Function. Biochemistry V. 47 4051 2008.
ISSN: ISSN 0006-2960
PubMed: 18324779
DOI: 10.1021/BI7021156