Chlorine in PDB 3gmf: Crystal Structure of Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans

The structure of Crystal Structure of Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans, PDB code: 3gmf was solved by Y.Patskovsky, U.A.Ramagopal, R.Toro, C.Morano, J.Freeman, S.Chang, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center Forstructural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.77 / 1.76
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	101.526, 101.526, 58.413, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans (pdb code 3gmf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans, PDB code: 3gmf:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans


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 Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:27.4 occ:1.00 O A:HOH420 2.9 30.9 1.0 O A:HOH470 3.1 35.3 1.0 ND2 A:ASN203 3.3 22.8 1.0 NE2 A:GLN204 3.3 30.3 1.0 CG A:GLN204 3.5 30.4 1.0 CG A:GLU200 3.8 29.2 1.0 CA A:GLU200 3.8 21.7 1.0 CD A:GLN204 3.9 33.7 1.0 CB A:ASN203 4.0 23.2 1.0 CB A:GLU200 4.1 22.6 1.0 CG A:ASN203 4.2 21.9 1.0 O A:GLU200 4.3 24.7 1.0 C A:GLU200 4.6 24.1 1.0 N A:GLN204 4.6 26.3 1.0 O A:HOH518 4.7 37.9 1.0 N A:GLU200 4.7 21.8 1.0 CB A:GLN204 4.7 28.9 1.0 CD A:GLU200 4.9 46.8 1.0 O A:ASP199 4.9 23.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans


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 Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:32.9 occ:1.00 O A:HOH417 2.9 27.0 1.0 O A:HOH414 3.1 25.1 1.0 N A:TRP226 3.1 22.0 1.0 CA A:PHE74 3.4 22.2 1.0 CB A:ASP225 3.5 27.2 1.0 CD2 A:HIS73 3.6 40.6 1.0 CB A:TRP226 3.7 23.9 1.0 N A:PHE74 3.8 23.8 1.0 CA A:ASP225 3.8 20.3 1.0 CG A:GLU77 3.8 33.4 1.0 CB A:PHE74 3.9 23.0 1.0 C A:ASP225 4.0 22.3 1.0 CB A:GLU77 4.0 30.5 1.0 C A:HIS73 4.0 25.3 1.0 CA A:TRP226 4.0 22.2 1.0 O A:HIS73 4.1 25.9 1.0 NE2 A:HIS73 4.2 45.5 1.0 CD1 A:PHE74 4.2 25.9 1.0 CG A:HIS73 4.3 40.1 1.0 CG A:PHE74 4.6 21.2 1.0 CG A:ASP225 4.6 29.3 1.0 C A:PHE74 4.6 24.8 1.0 CB A:HIS73 4.7 26.2 1.0 O A:PHE74 4.8 26.0 1.0 O A:HOH427 4.8 49.0 1.0 O A:HIS70 4.9 23.0 1.0 N A:ALA227 4.9 25.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans


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 Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:42.9 occ:1.00 N A:ASP169 3.2 35.3 1.0 CA A:ARG166 3.3 33.8 1.0 CG A:ASP169 3.4 51.5 1.0 C A:ARG166 3.5 34.6 1.0 OD1 A:ASP169 3.5 50.0 1.0 CB A:TYR168 3.6 36.9 1.0 CB A:ASP169 3.7 42.4 1.0 CB A:ARG166 3.7 36.5 1.0 O A:ARG166 3.7 32.6 1.0 OD2 A:ASP169 3.7 56.8 1.0 N A:TYR168 3.7 31.3 1.0 CA A:TYR168 3.9 35.9 1.0 CG A:ARG166 4.0 47.6 1.0 C A:TYR168 4.0 36.1 1.0 CA A:ASP169 4.0 38.9 1.0 CD2 A:TYR168 4.1 43.6 1.0 N A:PHE167 4.1 27.9 1.0 CG A:TYR168 4.4 42.6 1.0 N A:ARG166 4.6 28.5 1.0 C A:PHE167 4.7 27.9 1.0 NH1 A:ARG166 4.7 72.5 1.0 O A:HOH515 4.9 52.4 1.0 O A:SER163 4.9 29.0 1.0 O A:ALA162 4.9 28.8 1.0

Y.Patskovsky, U.A.Ramagopal, R.Toro, C.Morano, J.Freeman, S.Chang, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Protein-Disulfide Isomerase From Novosphingobium Aromaticivorans To Be Published.