Chlorine in PDB 7rkb: Crystal Structure of Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin

The structure of Crystal Structure of Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin, PDB code: 7rkb was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, K.J.F.Satchell, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.53 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.521, 83.521, 45.884, 90, 90, 90
R / Rfree (%)	18.8 / 23.3

The binding sites of Chlorine atom in the Crystal Structure of Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin (pdb code 7rkb). 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 Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin, PDB code: 7rkb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin


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 Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:91.9 occ:1.00 O A:HOH313 2.9 58.9 1.0 N A:ALA148 3.9 71.9 1.0 CB A:ALA148 4.0 74.2 1.0 OG A:SER147 4.5 74.8 1.0 CA A:ALA148 4.6 76.3 1.0 CA A:SER147 4.7 65.3 1.0 C A:SER147 4.8 67.5 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin


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 Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:87.9 occ:1.00 N A:LYS32 3.8 107.6 1.0 CA A:GLY31 3.8 101.8 1.0 CL A:CL205 3.9 98.1 1.0 O A:HOH301 4.1 74.4 1.0 C A:GLY31 4.3 99.7 1.0 CG A:LYS32 4.4 132.5 1.0 CA A:LYS32 4.9 110.4 1.0 CB A:LYS32 4.9 122.0 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin


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 Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:98.4 occ:1.00 O A:LYS93 3.5 86.0 1.0 NZ A:LYS40 3.6 100.6 1.0 CA A:GLY94 4.3 72.0 1.0 CG2 A:THR95 4.4 75.9 1.0 CD A:LYS40 4.4 84.8 1.0 CE A:LYS40 4.5 92.0 1.0 C A:LYS93 4.6 70.6 1.0 C A:GLY94 4.6 69.3 1.0 N A:THR95 4.8 65.8 1.0 OXT A:GLU169 4.9 74.4 1.0 N A:GLY94 5.0 73.4 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin


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 Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:98.1 occ:1.00 N A:ALA55 3.1 80.5 1.0 O A:HOH301 3.2 74.4 1.0 CB A:ALA55 3.4 77.7 1.0 N A:LEU54 3.5 83.4 1.0 CA A:ALA55 3.8 76.4 1.0 CB A:LEU54 3.8 86.0 1.0 CG A:ASP53 3.9 81.5 1.0 CB A:ASP53 3.9 77.3 1.0 CL A:CL203 3.9 87.9 1.0 OD2 A:ASP53 3.9 83.7 1.0 C A:LEU54 4.0 83.1 1.0 CA A:LEU54 4.0 83.0 1.0 CA A:GLY31 4.1 101.8 1.0 C A:ASP53 4.3 74.7 1.0 OD1 A:ASP53 4.4 77.0 1.0 N A:GLY31 4.6 102.3 1.0 CA A:ASP53 4.6 72.8 1.0 C A:GLY31 4.9 99.7 1.0 CG A:LEU54 4.9 89.0 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin


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 Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:104.5 occ:1.00 N A:GLY61 3.3 90.4 1.0 O A:HOH320 3.8 50.2 1.0 CA A:GLY61 3.9 91.7 1.0 CE A:LYS85 4.0 119.5 1.0 C A:LEU60 4.3 84.1 1.0 CA A:LEU60 4.4 85.6 1.0 CD A:LYS85 4.6 113.8 1.0 O A:LYS59 4.8 77.9 1.0

G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, K.J.F.Satchell. Crystal Structure of Putative Pterin Binding Protein (Prur) From Klebsiella Pneumoniae in Complex with Neopterin. To Be Published.