Chlorine in PDB 6lfx: Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#77

The structure of Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#77, PDB code: 6lfx was solved by T.Nakamura, Y.Yamagata, H.Morioka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.68 / 1.43
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	91.842, 91.842, 53.969, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 16.6

The binding sites of Chlorine atom in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#77 (pdb code 6lfx). 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 PCB4SCFV(HN56D) in Complex with Pcb#77, PDB code: 6lfx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#77


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 PCB4SCFV(HN56D) in Complex with Pcb#77 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:22.6 occ:1.00 CL1 A:OM4301 0.0 22.6 1.0 C3 A:OM4301 1.7 18.6 1.0 C2 A:OM4301 2.7 17.7 1.0 C4 A:OM4301 2.7 20.9 1.0 O1 A:OM4301 3.0 26.0 1.0 ND1 A:HIS232 3.4 25.5 1.0 O A:TYR93 3.6 19.6 1.0 O A:GLY92 3.7 17.7 1.0 O A:HOH529 3.8 20.0 1.0 CE1 A:HIS232 3.8 26.6 1.0 CA A:THR94 3.8 17.5 0.7 O A:HIS232 3.8 18.5 1.0 C A:TYR93 3.8 17.2 1.0 CA A:THR94 3.9 17.2 0.3 C A:THR94 3.9 15.8 1.0 N A:THR94 3.9 17.0 1.0 C1 A:OM4301 4.0 18.7 1.0 C5 A:OM4301 4.0 21.7 1.0 CD2 A:LEU95 4.0 14.3 1.0 O A:HOH540 4.0 17.8 1.0 N A:LEU95 4.0 15.1 1.0 CG A:LEU95 4.1 14.6 1.0 CD2 A:LEU97 4.3 13.6 1.0 CG A:HIS232 4.3 25.1 1.0 O A:HOH518 4.4 31.6 1.0 C A:GLY92 4.4 14.7 1.0 O A:THR94 4.4 17.5 1.0 C7 A:OM4301 4.4 28.4 1.0 C6 A:OM4301 4.5 20.2 1.0 CA A:TYR93 4.8 16.1 1.0 NE2 A:HIS232 4.8 27.9 1.0 CA A:LEU95 4.8 14.9 1.0 N A:TYR93 4.8 14.9 1.0 C A:HIS232 4.9 18.1 1.0 CB A:HIS232 4.9 23.0 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#77


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 PCB4SCFV(HN56D) in Complex with Pcb#77 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:27.9 occ:0.63 CL2 A:OM4301 0.0 27.9 0.6 C5' A:OM4301 1.4 29.7 0.4 C3' A:OM4301 1.7 16.7 0.6 C4' A:OM4301 2.1 14.1 0.4 CL4 A:OM4301 2.5 28.1 0.4 C6' A:OM4301 2.6 19.0 0.4 C2' A:OM4301 2.7 20.9 0.6 C4' A:OM4301 2.7 24.0 0.6 CL4 A:OM4301 3.1 37.1 0.6 O A:ILE178 3.4 17.7 1.0 C3' A:OM4301 3.4 23.8 0.4 CA A:SER179 3.5 21.4 1.0 C A:ILE178 3.5 17.4 1.0 N A:SER179 3.5 18.1 1.0 C1' A:OM4301 3.8 20.0 0.4 CA A:GLY160 3.8 19.3 1.0 CZ A:TYR234 3.9 21.3 1.0 OH A:TYR234 3.9 23.7 1.0 C1' A:OM4301 3.9 18.3 0.6 C5' A:OM4301 4.0 20.3 0.6 CB A:SER179 4.1 23.6 1.0 C2' A:OM4301 4.1 13.6 0.4 CB A:SER177 4.1 14.4 1.0 CE1 A:TYR234 4.2 19.1 1.0 N A:ILE178 4.2 15.6 1.0 O A:HOH508 4.2 31.4 1.0 CE2 A:TYR234 4.2 20.5 1.0 CA A:ILE178 4.4 16.0 1.0 N A:MET161 4.4 17.3 1.0 C6' A:OM4301 4.5 21.3 0.6 C A:GLY160 4.5 18.4 1.0 C A:SER177 4.7 15.0 1.0 C A:SER179 4.8 24.0 1.0 CD1 A:TYR234 4.8 17.3 1.0 O A:MET161 4.8 17.1 1.0 CL2 A:OM4301 4.8 22.2 0.4 OG A:SER177 4.9 14.6 1.0 CD2 A:TYR234 4.9 18.8 1.0 N A:GLY160 5.0 21.2 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#77


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 PCB4SCFV(HN56D) in Complex with Pcb#77 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:22.2 occ:0.37 CL2 A:OM4301 0.0 22.2 0.4 C5' A:OM4301 1.5 20.3 0.6 C3' A:OM4301 1.7 23.8 0.4 C4' A:OM4301 2.1 24.0 0.6 CL4 A:OM4301 2.4 37.1 0.6 C2' A:OM4301 2.7 13.6 0.4 C4' A:OM4301 2.7 14.1 0.4 C6' A:OM4301 2.8 21.3 0.6 CL4 A:OM4301 3.1 28.1 0.4 OG A:SER162 3.4 17.2 1.0 C3' A:OM4301 3.5 16.7 0.6 O A:HOH467 3.5 19.4 1.0 CB A:TYR234 3.6 16.5 1.0 OG A:SER177 3.7 14.6 1.0 CG A:TYR234 3.8 17.4 1.0 C1' A:OM4301 3.9 18.3 0.6 CD1 A:LEU97 4.0 14.0 1.0 C1' A:OM4301 4.0 20.0 0.4 C5' A:OM4301 4.0 29.7 0.4 CD1 A:TYR234 4.1 17.3 1.0 C2' A:OM4301 4.2 20.9 0.6 CE A:MET236 4.2 17.5 0.6 O A:HOH469 4.5 17.8 1.0 CD2 A:TYR234 4.5 18.8 1.0 CB A:SER177 4.5 14.4 1.0 C6' A:OM4301 4.5 19.0 0.4 CG A:MET236 4.7 15.7 0.4 CB A:SER162 4.7 14.8 1.0 CL2 A:OM4301 4.8 27.9 0.6 CA A:GLY225 4.8 17.4 0.4 CG A:MET236 4.8 16.1 0.6 CA A:GLY225 4.9 17.4 0.6 CE1 A:TYR234 5.0 19.1 1.0 CA A:TYR234 5.0 15.0 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#77


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 PCB4SCFV(HN56D) in Complex with Pcb#77 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:37.1 occ:0.63 CL4 A:OM4301 0.0 37.1 0.6 CL4 A:OM4301 0.8 28.1 0.4 C4' A:OM4301 1.7 24.0 0.6 C4' A:OM4301 1.8 14.1 0.4 C3' A:OM4301 2.3 23.8 0.4 CL2 A:OM4301 2.4 22.2 0.4 C3' A:OM4301 2.7 16.7 0.6 C5' A:OM4301 2.7 20.3 0.6 C5' A:OM4301 3.0 29.7 0.4 CL2 A:OM4301 3.1 27.9 0.6 OG A:SER162 3.3 17.2 1.0 O A:HOH467 3.3 19.4 1.0 C2' A:OM4301 3.7 13.6 0.4 N A:MET161 3.8 17.3 1.0 C A:GLY160 3.9 18.4 1.0 CA A:GLY225 3.9 17.4 0.4 CA A:GLY225 3.9 17.4 0.6 OG A:SER177 3.9 14.6 1.0 CD2 A:TYR234 4.0 18.8 1.0 C2' A:OM4301 4.0 20.9 0.6 C6' A:OM4301 4.0 21.3 0.6 CG A:TYR234 4.1 17.4 1.0 CB A:SER177 4.1 14.4 1.0 CA A:GLY160 4.1 19.3 1.0 O A:MET161 4.1 17.1 1.0 C A:MET161 4.2 15.9 1.0 C6' A:OM4301 4.2 19.0 0.4 CE2 A:TYR234 4.2 20.5 1.0 O A:GLY160 4.4 20.1 1.0 CA A:MET161 4.4 16.4 1.0 CD1 A:TYR234 4.4 17.3 1.0 N A:GLY225 4.5 17.4 0.6 C1' A:OM4301 4.5 20.0 0.4 C1' A:OM4301 4.5 18.3 0.6 N A:GLY225 4.5 17.3 0.4 CB A:TYR234 4.5 16.5 1.0 CZ A:TYR234 4.6 21.3 1.0 CB A:SER162 4.6 14.8 1.0 N A:SER162 4.7 15.4 1.0 CE1 A:TYR234 4.7 19.1 1.0 C A:GLY225 4.8 19.0 0.4 O A:ILE178 4.9 17.7 1.0 O A:GLY225 4.9 19.3 0.4

Chlorine binding site 5 out of 5 in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#77


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 PCB4SCFV(HN56D) in Complex with Pcb#77 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:28.1 occ:0.37 CL4 A:OM4301 0.0 28.1 0.4 CL4 A:OM4301 0.8 37.1 0.6 C4' A:OM4301 1.7 14.1 0.4 C4' A:OM4301 2.0 24.0 0.6 CL2 A:OM4301 2.5 27.9 0.6 C3' A:OM4301 2.5 16.7 0.6 C3' A:OM4301 2.7 23.8 0.4 C5' A:OM4301 2.7 29.7 0.4 CL2 A:OM4301 3.1 22.2 0.4 C5' A:OM4301 3.2 20.3 0.6 N A:MET161 3.3 17.3 1.0 C A:GLY160 3.4 18.4 1.0 CA A:GLY160 3.5 19.3 1.0 OG A:SER162 3.7 17.2 1.0 O A:MET161 3.8 17.1 1.0 C2' A:OM4301 3.9 20.9 0.6 O A:HOH467 3.9 19.4 1.0 C A:MET161 4.0 15.9 1.0 C2' A:OM4301 4.0 13.6 0.4 CB A:SER177 4.0 14.4 1.0 C6' A:OM4301 4.0 19.0 0.4 CA A:MET161 4.1 16.4 1.0 O A:GLY160 4.1 20.1 1.0 OG A:SER177 4.1 14.6 1.0 O A:ILE178 4.1 17.7 1.0 CD2 A:TYR234 4.1 18.8 1.0 CE2 A:TYR234 4.1 20.5 1.0 CA A:GLY225 4.2 17.4 0.4 CA A:GLY225 4.2 17.4 0.6 C6' A:OM4301 4.3 21.3 0.6 CG A:TYR234 4.4 17.4 1.0 CZ A:TYR234 4.5 21.3 1.0 C1' A:OM4301 4.5 20.0 0.4 C1' A:OM4301 4.6 18.3 0.6 N A:GLY225 4.7 17.4 0.6 CD1 A:TYR234 4.7 17.3 1.0 N A:GLY225 4.7 17.3 0.4 N A:SER162 4.7 15.4 1.0 N A:ILE178 4.7 15.6 1.0 N A:GLY160 4.7 21.2 1.0 CE1 A:TYR234 4.7 19.1 1.0 C A:ILE178 4.8 17.4 1.0 CA A:SER177 4.9 13.7 1.0 O A:GLY225 4.9 19.3 0.4 CB A:SER162 4.9 14.8 1.0 C A:GLY225 5.0 19.0 0.4

T.Nakamura, H.Morioka. Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#77 To Be Published.