Chlorine in PDB 6lfw: Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#126

The structure of Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#126, PDB code: 6lfw 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)	32.60 / 1.41
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	92.210, 92.210, 51.550, 90.00, 90.00, 90.00
R / Rfree (%)	12.6 / 15.6

The structure of Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#126 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#126 (pdb code 6lfw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#126, PDB code: 6lfw:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#126


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#126 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:14.7 occ:1.00 CL1 A:OMF301 0.0 14.7 1.0 C3 A:OMF301 1.7 13.1 1.0 C4 A:OMF301 2.7 14.6 1.0 C2 A:OMF301 2.7 13.4 1.0 O1 A:OMF301 2.9 16.7 1.0 CD2 A:HIS232 3.4 25.4 1.0 O A:TYR93 3.6 15.6 1.0 O A:GLY92 3.7 13.0 1.0 O A:HIS232 3.7 14.4 1.0 O A:HOH559 3.8 16.0 1.0 CA A:THR94 3.8 14.3 1.0 O A:HOH544 3.9 13.6 1.0 C A:TYR93 3.9 13.7 1.0 CD2 A:LEU95 3.9 12.2 1.0 C A:THR94 3.9 12.3 1.0 C1 A:OMF301 4.0 13.6 1.0 O A:HOH573 4.0 24.7 1.0 N A:THR94 4.0 12.6 1.0 C5 A:OMF301 4.0 15.8 1.0 N A:LEU95 4.0 12.6 1.0 CG A:LEU95 4.1 12.5 1.0 NE2 A:HIS232 4.1 28.6 1.0 CG A:HIS232 4.2 24.6 1.0 CD2 A:LEU97 4.2 10.6 1.0 C7 A:OMF301 4.3 18.8 1.0 C A:GLY92 4.4 11.7 1.0 C6 A:OMF301 4.5 15.0 1.0 O A:THR94 4.5 14.2 1.0 CB A:HIS232 4.7 21.4 1.0 C A:HIS232 4.7 14.8 1.0 CA A:TYR93 4.8 12.1 1.0 CA A:LEU95 4.8 12.1 1.0 N A:TYR93 4.9 11.9 1.0 CB A:LEU95 5.0 12.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#126


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#126 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:14.4 occ:1.00 CL2 A:OMF301 0.0 14.4 1.0 C3' A:OMF301 1.7 16.4 1.0 C4' A:OMF301 2.7 11.9 1.0 C2' A:OMF301 2.7 13.0 1.0 CL4 A:OMF301 3.2 24.8 1.0 OG A:SER162 3.5 12.1 1.0 CB A:TYR234 3.6 12.8 1.0 O A:HOH545 3.7 13.3 1.0 CD1 A:LEU97 3.7 10.7 1.0 CE A:MET236 3.8 9.1 0.5 OG A:SER177 3.9 11.2 1.0 CG A:TYR234 3.9 13.2 1.0 C5' A:OMF301 4.0 13.1 1.0 C1' A:OMF301 4.0 13.2 1.0 O A:HOH484 4.2 13.1 1.0 CE A:MET236 4.2 17.0 0.5 CD1 A:TYR234 4.3 13.4 1.0 CG A:MET236 4.5 10.9 0.5 C6' A:OMF301 4.5 14.8 1.0 CD2 A:TYR234 4.6 15.1 1.0 CG A:MET236 4.7 15.4 0.5 CB A:SER177 4.7 10.2 1.0 CB A:SER162 4.8 10.8 1.0 CA A:GLY225 4.9 12.8 1.0 CA A:TYR234 4.9 12.6 1.0 O A:HOH544 5.0 13.6 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#126


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#126 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:20.5 occ:1.00 CL3 A:OMF301 0.0 20.5 1.0 C5' A:OMF301 1.7 13.1 1.0 C6' A:OMF301 2.7 14.8 1.0 C4' A:OMF301 2.7 11.9 1.0 CL4 A:OMF301 3.1 24.8 1.0 N A:SER179 3.5 11.4 1.0 O A:ILE178 3.5 11.5 1.0 C A:ILE178 3.5 11.0 1.0 CA A:SER179 3.6 12.5 1.0 CA A:GLY160 3.8 12.2 1.0 OH A:TYR234 3.9 20.2 1.0 C1' A:OMF301 4.0 13.2 1.0 CZ A:TYR234 4.0 16.9 1.0 C3' A:OMF301 4.0 16.4 1.0 CB A:SER179 4.1 13.6 1.0 N A:ILE178 4.2 9.9 1.0 CB A:SER177 4.2 10.2 1.0 CE1 A:TYR234 4.3 14.3 1.0 CE2 A:TYR234 4.4 16.3 1.0 CA A:ILE178 4.4 10.8 1.0 C2' A:OMF301 4.5 13.0 1.0 N A:MET161 4.6 10.8 1.0 C A:GLY160 4.6 12.1 1.0 CE1 A:TYR185 4.6 14.4 1.0 C A:SER177 4.7 9.8 1.0 CD1 A:TYR185 4.8 12.4 1.0 C A:SER179 4.9 13.8 1.0 N A:GLY160 4.9 12.6 1.0 O A:MET161 4.9 13.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#126


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#126 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:24.8 occ:1.00 CL4 A:OMF301 0.0 24.8 1.0 C4' A:OMF301 1.7 11.9 1.0 C5' A:OMF301 2.7 13.1 1.0 C3' A:OMF301 2.7 16.4 1.0 CL3 A:OMF301 3.1 20.5 1.0 CL2 A:OMF301 3.2 14.4 1.0 OG A:SER162 3.5 12.1 1.0 C A:GLY160 3.5 12.1 1.0 N A:MET161 3.5 10.8 1.0 O A:HOH545 3.7 13.3 1.0 CA A:GLY160 3.7 12.2 1.0 O A:MET161 3.9 13.1 1.0 C6' A:OMF301 4.0 14.8 1.0 C2' A:OMF301 4.0 13.0 1.0 CA A:GLY225 4.0 12.8 1.0 CB A:SER177 4.0 10.2 1.0 C A:MET161 4.0 10.7 1.0 O A:GLY160 4.0 13.4 1.0 OG A:SER177 4.1 11.2 1.0 CD2 A:TYR234 4.1 15.1 1.0 CA A:MET161 4.2 11.1 1.0 CE2 A:TYR234 4.2 16.3 1.0 CG A:TYR234 4.4 13.2 1.0 N A:GLY225 4.4 12.3 1.0 C1' A:OMF301 4.5 13.2 1.0 O A:ILE178 4.6 11.5 1.0 CZ A:TYR234 4.6 16.9 1.0 N A:SER162 4.7 10.4 1.0 CD1 A:TYR234 4.8 13.4 1.0 CB A:SER162 4.8 10.8 1.0 N A:GLY160 4.8 12.6 1.0 CE1 A:TYR234 4.9 14.3 1.0 CB A:TYR234 4.9 12.8 1.0 C A:GLY225 5.0 14.3 1.0 N A:ILE178 5.0 9.9 1.0

T.Nakamura, H.Morioka. Crystal Structure of PCB4SCFV(HN56D) in Complex with Pcb#126 To Be Published.