Chlorine in PDB 6rmt: Crystal Structure of Disulphide-Linked Human C3D Dimer

The structure of Crystal Structure of Disulphide-Linked Human C3D Dimer, PDB code: 6rmt was solved by A.A.Wahid, J.M.H.Van Den Elsen, S.J.Crennell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.69 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.624, 59.896, 175.488, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 20

The binding sites of Chlorine atom in the Crystal Structure of Disulphide-Linked Human C3D Dimer (pdb code 6rmt). 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 Disulphide-Linked Human C3D Dimer, PDB code: 6rmt:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Disulphide-Linked Human C3D Dimer


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 Disulphide-Linked Human C3D Dimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:20.4 occ:1.00 H A:GLN20 2.4 22.0 0.5 H A:GLN20 2.4 22.0 0.5 H A:GLU19 2.5 20.7 1.0 HB2 A:GLU19 2.8 18.3 1.0 HB2 A:CYS17 2.8 28.7 1.0 HG3 A:GLN20 3.1 31.8 0.5 N A:GLN20 3.2 18.3 0.5 N A:GLN20 3.2 18.3 0.5 HB1 A:ALA75 3.2 22.3 1.0 H A:CYS17 3.2 24.1 1.0 O A:HOH502 3.3 28.0 1.0 N A:GLU19 3.3 17.2 1.0 HB2 A:GLN20 3.3 25.7 0.5 C A:CYS17 3.5 22.7 1.0 HB2 A:GLN20 3.5 25.6 0.5 CB A:CYS17 3.5 23.9 1.0 HB3 A:GLN20 3.6 25.6 0.5 H A:GLY18 3.6 16.7 0.5 H A:GLY18 3.6 16.7 0.5 CB A:GLU19 3.6 15.3 1.0 N A:GLY18 3.6 13.9 1.0 HB3 A:CYS17 3.7 28.7 1.0 CA A:CYS17 3.7 20.3 1.0 N A:CYS17 3.8 20.1 1.0 CA A:GLU19 3.8 15.3 1.0 O A:CYS17 3.9 15.2 1.0 CB A:GLN20 3.9 21.3 0.5 CG A:GLN20 3.9 26.5 0.5 HD2 A:HIS133 3.9 32.6 1.0 CB A:GLN20 3.9 21.4 0.5 HA A:ALA75 4.0 14.3 1.0 CB A:ALA75 4.0 18.6 1.0 C A:GLU19 4.0 16.5 1.0 HB2 A:ALA75 4.0 22.3 1.0 CA A:GLN20 4.1 19.9 0.5 CA A:GLN20 4.2 19.8 0.5 HG3 A:GLU19 4.3 21.8 1.0 HE1 A:PHE76 4.3 26.6 0.4 HB3 A:GLU19 4.3 18.3 1.0 C A:GLY18 4.3 12.0 1.0 NE2 A:HIS133 4.4 23.1 1.0 CD2 A:HIS133 4.4 27.2 1.0 CA A:ALA75 4.5 11.9 1.0 CG A:GLU19 4.5 18.2 1.0 O A:ALA75 4.5 17.6 1.0 H A:ASN21 4.5 17.0 0.5 OE1 A:GLN20 4.5 29.1 0.5 H A:ASN21 4.5 17.0 0.5 CA A:GLY18 4.5 15.0 1.0 HG2 A:GLN20 4.6 31.8 0.5 HA A:CYS17 4.7 24.3 1.0 CD A:GLN20 4.7 34.2 0.5 HA A:GLN20 4.7 23.8 0.5 HA A:GLU19 4.8 18.4 1.0 HB3 A:ALA75 4.8 22.3 1.0 HA A:GLN20 4.8 23.8 0.5 HB3 A:GLN20 4.8 25.7 0.5 SG B:CYS17 4.8 26.6 0.7 OE1 A:GLU19 4.9 21.4 1.0 CD A:GLU19 4.9 23.5 1.0 CE1 A:PHE76 4.9 22.1 0.4 C A:ALA75 4.9 12.7 1.0 C A:GLY16 4.9 16.9 1.0 HA3 A:GLY18 5.0 18.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Disulphide-Linked Human C3D Dimer


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 Disulphide-Linked Human C3D Dimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:18.2 occ:1.00 H B:VAL77 2.4 17.5 1.0 H A:VAL77 2.4 15.8 0.4 H A:VAL77 2.4 15.8 0.6 HB2 B:PHE76 2.7 26.2 1.0 HG22 B:VAL77 2.9 38.4 1.0 HB2 A:PHE76 2.9 24.5 0.6 HB3 A:PHE76 3.0 22.8 0.4 O A:HOH653 3.1 15.9 1.0 HG13 B:VAL77 3.1 30.0 1.0 HA A:PHE76 3.2 20.2 0.4 HA B:PHE76 3.2 25.8 1.0 N B:VAL77 3.2 14.6 1.0 O A:HOH652 3.2 17.3 1.0 HA A:PHE76 3.2 20.2 0.6 N A:VAL77 3.3 13.1 1.0 HE1 A:PHE66 3.3 21.9 1.0 HG23 A:VAL77 3.3 22.0 1.0 HB A:VAL77 3.3 31.0 1.0 HE1 B:PHE66 3.3 20.4 1.0 CB B:PHE76 3.4 21.9 1.0 HB3 B:PHE76 3.4 26.2 1.0 HB3 A:PHE76 3.5 24.5 0.6 CB A:PHE76 3.5 20.4 0.6 HD1 A:PHE66 3.7 24.4 1.0 CA B:PHE76 3.7 21.5 1.0 CB A:PHE76 3.7 19.0 0.4 CA A:PHE76 3.8 16.8 0.6 CA A:PHE76 3.8 16.8 0.4 CG2 B:VAL77 3.8 32.0 1.0 HD1 B:PHE66 3.8 19.5 1.0 CB A:VAL77 4.0 25.9 1.0 C B:PHE76 4.0 15.3 1.0 CG2 A:VAL77 4.0 18.3 1.0 CG1 B:VAL77 4.0 25.0 1.0 HB2 A:PHE76 4.0 22.8 0.4 C A:PHE76 4.0 14.8 0.6 CE1 A:PHE66 4.0 18.2 1.0 C A:PHE76 4.0 14.8 0.4 CE1 B:PHE66 4.1 17.0 1.0 HG21 B:VAL77 4.2 38.4 1.0 HG21 A:VAL77 4.2 22.0 1.0 CB B:VAL77 4.2 27.1 1.0 CD1 A:PHE66 4.2 20.4 1.0 CA A:VAL77 4.2 16.0 1.0 CA B:VAL77 4.3 12.3 1.0 HG B:CYS17 4.3 31.9 0.7 CD1 B:PHE66 4.3 16.2 1.0 HG11 B:VAL77 4.4 30.0 1.0 HG23 B:VAL77 4.4 38.4 1.0 H A:LYS78 4.4 21.2 1.0 H B:LYS78 4.5 18.6 1.0 CG B:PHE76 4.7 21.3 1.0 HG12 B:VAL77 4.7 30.0 1.0 HD2 B:PHE76 4.7 30.3 1.0 HD1 A:PHE76 4.8 24.1 0.4 HG22 A:VAL77 4.8 22.0 1.0 HA B:VAL77 4.9 14.8 1.0 HA A:VAL77 4.9 19.2 1.0 CG A:PHE76 4.9 15.7 0.6 CG A:PHE76 5.0 19.4 0.4

Chlorine binding site 3 out of 4 in the Crystal Structure of Disulphide-Linked Human C3D Dimer


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 Disulphide-Linked Human C3D Dimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:23.0 occ:1.00 H B:GLN20 2.4 17.5 1.0 H B:GLU19 2.5 18.1 1.0 HG B:CYS17 2.6 40.4 0.3 HB2 B:GLU19 2.8 20.3 1.0 HB2 B:CYS17 2.9 30.2 0.7 HG3 B:GLN20 3.0 54.8 1.0 SG B:CYS17 3.1 33.7 0.3 HB1 B:ALA75 3.2 20.5 1.0 H B:CYS17 3.3 22.5 0.7 N B:GLN20 3.3 14.6 1.0 N B:GLU19 3.3 15.1 1.0 O B:HOH501 3.3 32.4 1.0 H B:CYS17 3.3 22.5 0.3 C B:CYS17 3.4 19.7 0.3 HB2 B:GLN20 3.4 30.0 1.0 C B:CYS17 3.5 19.7 0.7 CB B:CYS17 3.6 25.2 0.7 O B:HOH650 3.6 47.2 1.0 O B:CYS17 3.6 18.8 0.3 CB B:GLU19 3.6 16.9 1.0 N B:GLY18 3.7 15.5 1.0 HB3 B:CYS17 3.7 30.2 0.7 O B:CYS17 3.7 18.8 0.7 CA B:CYS17 3.8 24.5 0.7 H B:GLY18 3.8 18.6 0.3 CA B:GLU19 3.8 12.9 1.0 CB B:CYS17 3.8 25.3 0.3 N B:CYS17 3.8 18.7 0.7 HD2 B:HIS133 3.8 32.1 1.0 CA B:CYS17 3.9 24.3 0.3 N B:CYS17 3.9 18.8 0.3 CG B:GLN20 3.9 45.6 1.0 HA B:ALA75 3.9 18.2 1.0 HB2 B:CYS17 4.0 30.4 0.3 CB B:ALA75 4.0 17.1 1.0 CB B:GLN20 4.0 25.0 1.0 HB2 B:ALA75 4.0 20.5 1.0 C B:GLU19 4.0 19.0 1.0 HG3 B:GLU19 4.1 21.7 1.0 HE21 B:GLN20 4.2 50.4 1.0 CA B:GLN20 4.2 17.7 1.0 C B:GLY18 4.3 16.8 1.0 HB3 B:GLU19 4.3 20.3 1.0 CG B:GLU19 4.3 18.1 1.0 CD2 B:HIS133 4.4 26.7 1.0 CA B:ALA75 4.4 15.1 1.0 HG2 B:GLN20 4.4 54.8 1.0 O B:ALA75 4.5 19.9 1.0 NE2 B:HIS133 4.5 25.7 1.0 CA B:GLY18 4.5 16.2 1.0 H B:ASN21 4.6 18.0 1.0 HG A:CYS17 4.7 42.3 1.0 HA B:CYS17 4.7 29.4 0.7 HB3 B:CYS17 4.7 30.4 0.3 O B:HOH724 4.7 39.7 1.0 HA B:GLU19 4.7 15.5 1.0 CD B:GLU19 4.8 24.2 1.0 HB3 B:ALA75 4.8 20.5 1.0 OE1 B:GLU19 4.8 19.1 1.0 HA B:GLN20 4.8 21.3 1.0 NE2 B:GLN20 4.8 42.0 1.0 HA B:CYS17 4.8 29.2 0.3 CD B:GLN20 4.8 65.6 1.0 HA3 B:GLY18 4.9 19.4 1.0 SG A:CYS17 4.9 35.3 1.0 C B:ALA75 4.9 17.3 1.0 HB3 B:GLN20 4.9 30.0 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Disulphide-Linked Human C3D Dimer


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 Disulphide-Linked Human C3D Dimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:30.0 occ:1.00 HH11 B:ARG49 2.6 29.4 1.0 HB3 B:ARG49 3.0 19.1 1.0 HD3 B:ARG49 3.0 23.1 1.0 HG2 B:ARG49 3.0 19.6 1.0 O B:HOH546 3.3 20.6 1.0 NH1 B:ARG49 3.4 24.5 1.0 CG B:ARG49 3.6 16.4 1.0 HD12 B:LEU53 3.6 42.5 1.0 CD B:ARG49 3.7 19.2 1.0 CB B:ARG49 3.7 15.9 1.0 HH12 B:ARG49 3.7 29.4 1.0 HA B:GLN50 3.8 27.6 0.5 HA B:GLN50 3.8 27.6 0.5 H B:GLN50 3.9 24.3 0.5 H B:GLN50 3.9 24.3 0.5 N B:GLN50 3.9 20.2 0.5 HB2 B:GLN50 3.9 26.5 0.5 N B:GLN50 3.9 20.2 0.5 HB2 B:GLN50 4.0 25.9 0.5 HD11 B:LEU53 4.0 42.5 1.0 OE1 B:GLN50 4.1 33.4 0.5 C B:ARG49 4.2 20.6 1.0 CD1 B:LEU53 4.3 35.4 1.0 CA B:GLN50 4.3 23.0 0.5 CA B:GLN50 4.3 23.0 0.5 HB2 B:ARG49 4.4 19.1 1.0 HD2 B:ARG49 4.4 23.1 1.0 CZ B:ARG49 4.4 17.9 1.0 HG3 B:ARG49 4.5 19.6 1.0 NE B:ARG49 4.5 18.5 1.0 CB B:GLN50 4.6 22.1 0.5 CA B:ARG49 4.6 18.0 1.0 HE21 B:GLN50 4.6 40.9 0.5 CB B:GLN50 4.7 21.6 0.5 CD B:GLN50 4.8 30.2 0.5 O B:ARG49 4.8 17.2 1.0 HG B:LEU53 4.8 32.1 1.0 HD13 B:LEU53 4.9 42.5 1.0

J.M.H.Van Den Elsen, A.A.Wahid, S.J.Crennell. Crystal Structure of Disulphide-Linked Human C3D Dimer To Be Published.