Chlorine in PDB 5oan: Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG)

The structure of Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG), PDB code: 5oan was solved by A.Dawson, W.N.Hunter, J.O.De Souza, P.Trumper, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.90 / 2.60
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.919, 100.266, 165.238, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 23.5

The binding sites of Chlorine atom in the Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG) (pdb code 5oan). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG), PDB code: 5oan:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:38.9 occ:1.00 O A:HOH435 3.0 24.0 1.0 O A:HOH405 3.3 16.5 1.0 CB A:TYR37 3.5 28.0 1.0 N A:TRP103 3.5 23.7 1.0 N A:TYR37 3.7 33.9 1.0 CB A:ILE102 3.9 24.3 1.0 CD1 A:LEU79 3.9 23.4 1.0 CA A:ILE102 3.9 24.5 1.0 CG2 A:ILE102 4.1 24.5 1.0 CB A:TRP103 4.1 23.9 1.0 CD1 A:LEU82 4.2 29.5 1.0 CA A:TYR37 4.2 29.5 1.0 C A:ILE102 4.3 24.2 1.0 CD2 A:LEU82 4.3 28.5 1.0 CG A:MET36 4.3 45.0 1.0 CA A:TRP103 4.4 23.7 1.0 CG A:LEU82 4.5 29.0 1.0 CG A:TYR37 4.6 26.4 1.0 C A:MET36 4.8 39.8 1.0 O A:TRP103 4.9 21.6 1.0 CA A:MET36 4.9 42.6 1.0 CD2 A:TYR37 4.9 25.2 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:26.6 occ:1.00 O B:HOH738 2.9 23.2 1.0 O B:HOH728 3.5 10.5 1.0 N B:TRP103 3.5 18.3 1.0 CB B:TYR37 3.6 27.9 1.0 N B:TYR37 3.7 33.2 1.0 CB B:ILE102 3.9 18.9 1.0 CA B:ILE102 3.9 19.2 1.0 CG2 B:ILE102 4.0 18.5 1.0 CD1 B:LEU79 4.1 23.2 1.0 CD2 B:LEU82 4.2 26.7 1.0 CD1 B:LEU82 4.3 26.6 1.0 CB B:TRP103 4.3 18.1 1.0 C B:ILE102 4.3 19.0 1.0 CA B:TYR37 4.3 30.0 1.0 CG B:MET36 4.3 40.6 1.0 CG B:LEU82 4.5 26.6 1.0 CA B:TRP103 4.5 18.3 1.0 C B:MET36 4.7 38.0 1.0 CG B:TYR37 4.8 27.4 1.0 CA B:MET36 4.8 41.1 1.0 O B:ASP101 4.9 24.2 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl602 b:27.8 occ:1.00 O C:HOH719 3.3 17.8 1.0 CB C:TYR37 3.4 29.9 1.0 N C:TRP103 3.5 20.8 1.0 N C:TYR37 3.7 36.8 1.0 O C:HOH713 3.7 15.1 1.0 CB C:ILE102 3.9 20.7 1.0 CA C:ILE102 4.0 20.7 1.0 CD1 C:LEU79 4.0 22.9 1.0 CG2 C:ILE102 4.1 21.0 1.0 CB C:TRP103 4.2 20.6 1.0 CA C:TYR37 4.2 32.3 1.0 CD2 C:LEU82 4.2 23.2 1.0 CD1 C:LEU82 4.3 23.0 1.0 C C:ILE102 4.3 20.8 1.0 CG C:MET36 4.3 46.9 1.0 CA C:TRP103 4.4 20.6 1.0 CG C:LEU82 4.5 23.4 1.0 CG C:TYR37 4.6 29.0 1.0 C C:MET36 4.7 42.9 1.0 CA C:MET36 4.8 47.2 1.0 O C:TRP103 4.9 20.3 1.0 CD2 C:TYR37 4.9 28.1 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl602 b:32.5 occ:1.00 N D:TRP103 3.3 23.1 1.0 O D:HOH709 3.3 14.3 1.0 CB D:TYR37 3.5 29.7 1.0 N D:TYR37 3.7 33.2 1.0 CA D:ILE102 3.7 23.1 1.0 CB D:ILE102 3.7 22.3 1.0 CB D:TRP103 3.9 22.3 1.0 CG2 D:ILE102 4.0 22.2 1.0 C D:ILE102 4.0 23.9 1.0 CD1 D:LEU79 4.1 24.0 1.0 CG D:MET36 4.1 45.8 1.0 CA D:TYR37 4.2 29.9 1.0 CA D:TRP103 4.2 22.2 1.0 CD1 D:LEU82 4.4 22.2 1.0 CD2 D:LEU82 4.4 22.7 1.0 CG D:TYR37 4.6 30.9 1.0 CG D:LEU82 4.7 22.5 1.0 C D:MET36 4.7 37.2 1.0 O D:TRP103 4.7 22.6 1.0 CA D:MET36 4.8 42.7 1.0 O D:ASP101 4.9 25.3 1.0 CD2 D:TYR37 4.9 30.7 1.0 O D:TYR37 4.9 26.9 1.0 C D:TRP103 5.0 22.5 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl303 b:32.1 occ:1.00 CB E:TYR37 3.4 34.6 1.0 O E:HOH424 3.4 11.8 1.0 N E:TRP103 3.5 24.3 1.0 N E:TYR37 3.6 38.1 1.0 CB E:ILE102 3.9 23.0 1.0 CA E:ILE102 4.0 23.8 1.0 CD1 E:LEU79 4.0 27.8 1.0 CG2 E:ILE102 4.1 23.6 1.0 CB E:TRP103 4.1 24.4 1.0 CA E:TYR37 4.2 36.8 1.0 C E:ILE102 4.3 24.4 1.0 CD1 E:LEU82 4.3 27.1 1.0 CG E:MET36 4.3 47.9 1.0 CD2 E:LEU82 4.3 26.5 1.0 CA E:TRP103 4.4 24.2 1.0 CG E:LEU82 4.5 26.6 1.0 CG E:TYR37 4.6 33.9 1.0 C E:MET36 4.7 42.1 1.0 CA E:MET36 4.8 45.2 1.0 CD2 E:TYR37 4.9 33.5 1.0 O E:TRP103 4.9 22.3 1.0

A.Dawson, W.N.Hunter, J.O.De Souza, P.Trumper. Crystal Structure of Mutant Achbp in Complex with Glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG) To Be Published.