Chlorine in PDB 3ofg: Structured Domain of Caenorhabditis Elegans Bmy-1

The structure of Structured Domain of Caenorhabditis Elegans Bmy-1, PDB code: 3ofg was solved by M.N.Collins, W.A.Hendrickson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.03 / 1.37
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	29.522, 38.148, 40.706, 63.39, 85.74, 84.69
R / Rfree (%)	14.6 / 16.8

The binding sites of Chlorine atom in the Structured Domain of Caenorhabditis Elegans Bmy-1 (pdb code 3ofg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structured Domain of Caenorhabditis Elegans Bmy-1, PDB code: 3ofg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structured Domain of Caenorhabditis Elegans Bmy-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structured Domain of Caenorhabditis Elegans Bmy-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:8.4 occ:1.00 HE22 A:GLN170 2.4 20.1 1.0 H B:VAL131 2.4 8.3 1.0 HE21 B:GLN119 2.4 9.3 1.0 H A:PHE172 2.5 9.7 1.0 H A:GLY174 2.5 15.9 1.0 HB2 A:GLN170 2.9 10.8 1.0 HA B:GLN130 2.9 8.4 1.0 HB2 A:PHE172 2.9 12.3 1.0 NE2 A:GLN170 3.2 16.8 1.0 NE2 B:GLN119 3.3 7.7 1.0 N B:VAL131 3.3 6.9 1.0 N A:PHE172 3.3 8.1 1.0 N A:GLY174 3.4 13.3 1.0 C A:PHE172 3.4 9.4 1.0 CA A:PHE172 3.6 9.1 1.0 N A:ASP173 3.6 10.8 0.5 N A:ASP173 3.6 10.8 0.5 HE22 B:GLN119 3.6 9.3 1.0 HB B:VAL131 3.6 9.4 1.0 HE21 A:GLN170 3.7 20.1 1.0 CB A:PHE172 3.7 10.3 1.0 CA B:GLN130 3.7 7.0 1.0 H A:ASP173 3.7 12.9 0.5 HB3 B:GLN130 3.7 10.6 1.0 HD2 A:PHE172 3.8 14.2 1.0 CB A:GLN170 3.8 9.0 1.0 HA3 A:GLY174 3.8 20.3 1.0 H A:ASP173 3.8 12.9 0.5 H A:SER171 3.8 9.5 1.0 HG3 A:GLN170 3.8 14.8 1.0 O A:PHE172 3.8 12.6 1.0 HG2 B:GLN130 3.8 15.5 1.0 O B:VAL131 3.9 9.0 1.0 C B:GLN130 4.0 8.1 1.0 HA A:ASP173 4.0 18.4 0.5 HG23 B:VAL131 4.1 11.0 1.0 CA A:GLY174 4.1 16.9 1.0 CG A:GLN170 4.1 12.3 1.0 CD A:GLN170 4.1 18.4 1.0 CB B:GLN130 4.1 8.8 1.0 N A:SER171 4.2 7.9 1.0 CA B:VAL131 4.2 6.5 1.0 CA A:ASP173 4.2 15.3 0.5 CD B:GLN119 4.2 7.5 1.0 CB B:VAL131 4.3 7.9 1.0 HB3 A:GLN170 4.3 10.8 1.0 C A:ASP173 4.3 16.7 0.5 C A:ASP173 4.3 16.6 0.5 OE1 B:GLN119 4.4 9.0 1.0 CD2 A:PHE172 4.4 11.8 1.0 CA A:ASP173 4.4 12.3 0.5 HB3 A:PHE172 4.4 12.3 1.0 C A:SER171 4.4 9.8 1.0 CG A:PHE172 4.5 8.4 1.0 CG B:GLN130 4.5 12.9 1.0 C B:VAL131 4.5 7.6 1.0 HA A:ASP173 4.5 14.8 0.5 HA A:PHE172 4.6 11.0 1.0 C A:GLN170 4.6 9.7 1.0 O B:LEU129 4.6 11.0 1.0 O A:GLY174 4.6 24.7 1.0 CA A:GLN170 4.7 9.2 1.0 CG2 B:VAL131 4.7 9.1 1.0 O B:HOH31 4.7 15.2 1.0 HB2 A:SER171 4.7 13.0 1.0 C A:GLY174 4.7 26.1 1.0 HA A:GLN170 4.7 11.0 1.0 CA A:SER171 4.8 8.9 1.0 HA2 A:GLY174 4.9 20.3 1.0 N B:GLN130 4.9 7.8 1.0

Chlorine binding site 2 out of 4 in the Structured Domain of Caenorhabditis Elegans Bmy-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structured Domain of Caenorhabditis Elegans Bmy-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:12.4 occ:1.00 H A:ILE167 2.5 10.2 1.0 HZ2 A:LYS153 2.5 23.9 1.0 HA A:THR166 2.6 8.2 1.0 HB A:THR166 3.3 11.6 1.0 N A:ILE167 3.3 8.5 1.0 NZ A:LYS153 3.4 19.9 1.0 CA A:THR166 3.4 6.8 1.0 HZ1 A:LYS153 3.5 23.9 1.0 HG22 A:THR166 3.5 16.5 1.0 HZ3 A:LYS153 3.6 23.9 1.0 CB A:THR166 3.8 9.6 1.0 C A:THR166 3.9 8.0 1.0 HB A:ILE167 3.9 12.1 1.0 CG2 A:THR166 4.1 13.7 1.0 O A:ILE167 4.2 10.3 1.0 O A:VAL165 4.2 11.5 1.0 HG13 A:ILE167 4.3 15.9 1.0 CA A:ILE167 4.4 8.7 1.0 HD2 A:LYS153 4.5 15.8 1.0 CB A:ILE167 4.5 10.1 1.0 CE A:LYS153 4.6 17.9 1.0 HE3 A:LYS153 4.7 21.4 1.0 N A:THR166 4.7 7.3 1.0 HG21 A:THR166 4.7 16.5 1.0 HD12 A:ILE167 4.7 19.4 1.0 C A:ILE167 4.8 10.2 1.0 HG23 A:THR166 4.8 16.5 1.0 CG1 A:ILE167 4.9 13.3 1.0 C A:VAL165 4.9 10.4 1.0 O A:HOH199 4.9 31.1 1.0 CD A:LYS153 5.0 13.1 1.0

Chlorine binding site 3 out of 4 in the Structured Domain of Caenorhabditis Elegans Bmy-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structured Domain of Caenorhabditis Elegans Bmy-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3 b:12.5 occ:1.00 HD22 A:ASN124 2.3 9.5 1.0 HA A:GLN121 3.0 7.7 1.0 O A:HOH18 3.0 13.8 1.0 HG2 A:GLN121 3.0 9.6 1.0 O A:HOH209 3.1 21.6 1.0 ND2 A:ASN124 3.3 8.0 1.0 HB2 A:ASN124 3.3 9.3 1.0 HD21 A:ASN124 3.8 9.5 1.0 CA A:GLN121 3.9 6.4 1.0 CB A:ASN124 3.9 7.7 1.0 CG A:GLN121 3.9 8.0 1.0 HB3 A:ASN124 4.0 9.3 1.0 CG A:ASN124 4.1 7.4 1.0 HB3 A:GLN121 4.1 8.3 1.0 HE22 A:GLN121 4.2 19.7 1.0 CB A:GLN121 4.2 6.9 1.0 O A:HOH234 4.3 29.4 1.0 HG3 A:GLN121 4.4 9.6 1.0 O A:GLN121 4.6 7.7 1.0 O A:HOH235 4.7 34.9 1.0 N A:GLN121 4.7 6.0 1.0 C A:GLN121 4.8 6.7 1.0 O A:SER120 4.9 6.6 1.0 NE2 A:GLN121 4.9 16.4 1.0 CD A:GLN121 5.0 12.0 1.0

Chlorine binding site 4 out of 4 in the Structured Domain of Caenorhabditis Elegans Bmy-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structured Domain of Caenorhabditis Elegans Bmy-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4 b:18.1 occ:1.00 HE21 A:GLN119 2.4 12.2 1.0 H A:VAL131 2.4 9.1 1.0 HA A:GLN130 2.8 9.1 1.0 HG3 A:GLN130 2.8 15.9 1.0 NE2 A:GLN119 3.2 10.2 1.0 N A:VAL131 3.2 7.6 1.0 O B:HOH238 3.4 28.7 1.0 HE22 A:GLN119 3.5 12.2 1.0 O A:HOH35 3.5 16.5 1.0 CA A:GLN130 3.6 7.6 1.0 O A:HOH243 3.7 25.8 1.0 CG A:GLN130 3.7 13.3 1.0 HB A:VAL131 3.8 11.6 1.0 C A:GLN130 3.9 8.7 1.0 HG2 A:GLN130 3.9 15.9 1.0 HG23 A:VAL131 3.9 15.1 1.0 O A:VAL131 4.1 10.3 1.0 CB A:GLN130 4.1 11.3 1.0 HE21 A:GLN116 4.1 12.0 0.5 CD A:GLN119 4.2 8.3 1.0 CA A:VAL131 4.3 7.3 1.0 OE1 A:GLN119 4.4 10.6 1.0 CB A:VAL131 4.4 9.6 1.0 HB2 A:GLN130 4.4 13.5 1.0 O A:LEU129 4.4 9.6 1.0 HE22 A:GLN130 4.5 17.1 1.0 CG2 A:VAL131 4.6 12.5 1.0 C A:VAL131 4.7 8.7 1.0 OD2 B:ASP173 4.7 11.5 1.0 N A:GLN130 4.8 7.7 1.0 O B:SER171 4.8 19.9 1.0 CD A:GLN130 4.8 12.2 1.0 OD1 B:ASP173 4.8 17.6 1.0 O B:HOH178 4.9 26.3 1.0 NE2 A:GLN116 5.0 10.0 0.5 HB3 A:GLN130 5.0 13.5 1.0

M.N.Collins, W.A.Hendrickson. Structural Characterization of the Boca/Mesd Maturation Factors For Ldl-Receptor-Type Beta-Propeller Domains Structure 2011.
ISSN: ISSN 0969-2126