Chlorine in PDB 2bwj: Structure of Adenylate Kinase 5

All present enzymatic activity of Structure of Adenylate Kinase 5:
2.7.4.3;

The structure of Structure of Adenylate Kinase 5, PDB code: 2bwj was solved by G.Bunkoczi, P.Filippakopoulos, O.Fedorov, A.Jansson, E.Longman, E.Ugochukwu, S.Knapp, F.Von Delft, C.Arrowsmith, A.Edwards, M.Sundstrom, J.Weigelt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	180.375, 180.375, 121.701, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 21.3

The binding sites of Chlorine atom in the Structure of Adenylate Kinase 5 (pdb code 2bwj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of Adenylate Kinase 5, PDB code: 2bwj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of Adenylate Kinase 5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Adenylate Kinase 5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:73.8 occ:1.00 N A:ALA125 3.5 59.8 1.0 O A:HOH2079 3.5 41.5 1.0 O A:HOH2076 3.7 42.4 1.0 CA A:SER124 3.7 56.6 1.0 CB A:SER124 3.9 51.0 1.0 CG F:PRO141 4.1 50.2 1.0 CB F:PRO141 4.1 53.8 1.0 C A:SER124 4.2 55.9 1.0 O F:HOH2081 4.2 38.0 1.0 CB A:ALA125 4.3 61.7 1.0 O F:HOH2027 4.5 55.4 1.0 CA A:ALA125 4.5 57.8 1.0 OH A:TYR157 4.8 59.9 1.0 N A:SER124 4.9 54.7 1.0 O A:CYS123 4.9 64.0 1.0

Chlorine binding site 2 out of 5 in the Structure of Adenylate Kinase 5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Adenylate Kinase 5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1200 b:74.8 occ:1.00 O A:HOH2042 3.0 66.3 1.0 NH2 B:ARG152 3.6 67.2 1.0 NH1 B:ARG152 3.6 60.0 1.0 O A:HOH2016 3.8 69.2 1.0 CZ B:ARG152 4.1 59.9 1.0 CD2 B:LEU132 4.3 55.8 1.0 CD A:LYS58 4.3 66.8 1.0 CE B:MET135 4.3 0.5 1.0 CE A:LYS58 4.7 61.3 1.0 NZ A:LYS58 4.8 62.1 1.0 CG A:LYS58 5.0 52.9 1.0

Chlorine binding site 3 out of 5 in the Structure of Adenylate Kinase 5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Adenylate Kinase 5 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1199 b:68.5 occ:1.00 O E:HOH2022 3.6 55.8 1.0 N E:ALA125 3.7 59.2 1.0 O E:HOH2030 3.8 54.0 1.0 CA E:SER124 3.9 54.6 1.0 CB E:SER124 4.0 54.1 1.0 CB A:PRO141 4.0 53.1 1.0 O A:HOH2093 4.1 54.5 1.0 CG A:PRO141 4.1 58.1 1.0 C E:SER124 4.3 55.4 1.0 CB E:ALA125 4.4 56.3 1.0 CA E:ALA125 4.7 57.5 1.0

Chlorine binding site 4 out of 5 in the Structure of Adenylate Kinase 5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Adenylate Kinase 5 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl1200 b:66.1 occ:1.00 O F:HOH2002 3.1 47.7 1.0 NE F:ARG100 3.2 79.0 1.0 O F:HOH2004 3.3 48.3 1.0 NH1 C:ARG66 3.6 83.4 1.0 CA F:TYR156 3.6 53.4 1.0 O F:HOH2053 3.6 58.2 1.0 NH1 F:ARG100 3.6 61.8 1.0 CD1 F:TYR156 3.7 52.3 1.0 O F:HOH2086 3.8 55.5 1.0 CZ F:ARG100 3.9 76.6 1.0 CB F:TYR156 4.0 56.0 1.0 CB F:ALA159 4.1 66.4 1.0 CD F:ARG100 4.2 77.2 1.0 N F:TYR156 4.2 55.9 1.0 CG F:TYR156 4.3 53.2 1.0 O F:ALA155 4.4 59.4 1.0 O F:HOH2005 4.5 34.1 1.0 O C:HOH2030 4.5 59.8 1.0 O F:HOH2007 4.6 51.5 1.0 O F:TYR156 4.6 58.0 1.0 C F:ALA155 4.6 55.8 1.0 CZ C:ARG66 4.6 80.6 1.0 C F:TYR156 4.6 57.9 1.0 CE1 F:TYR156 4.7 57.6 1.0

Chlorine binding site 5 out of 5 in the Structure of Adenylate Kinase 5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Adenylate Kinase 5 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl1201 b:92.0 occ:1.00 NE F:ARG158 3.6 76.6 1.0 NH1 F:ARG158 3.8 61.8 1.0 O F:HOH2088 3.9 57.8 1.0 CZ F:ARG158 4.1 70.1 1.0 CD F:ARG158 4.6 61.8 1.0

P.Filippakopoulos, G.Bunkoczi, A.Jansson, E.Longman, S.Knapp. Structure of Adenylate Kinase 5 To Be Published.