Chlorine in PDB 3mg9: Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone

The structure of Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone, PDB code: 3mg9 was solved by M.J.Bick, J.J.Banik, S.A.Darst, S.F.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.32 / 2.27
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.119, 80.154, 132.937, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 22.6

The binding sites of Chlorine atom in the Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone (pdb code 3mg9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone, PDB code: 3mg9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl388 b:0.6 occ:1.00 CL B:3MY388 0.0 0.6 1.0 CE2 B:3MY388 1.7 51.4 1.0 CD2 B:3MY388 2.7 53.9 1.0 CZ B:3MY388 2.7 55.5 1.0 OBD B:3MY388 3.0 52.2 1.0 N A:ASP108 3.4 52.7 1.0 CB A:ARG107 3.4 49.4 1.0 C2 B:GHP390 3.4 48.1 1.0 C3 B:GHP390 3.5 51.4 1.0 CB A:ASP108 3.6 56.7 1.0 CG A:ASP108 3.8 60.4 1.0 C A:ARG107 3.9 55.5 1.0 OD2 A:ASP108 3.9 66.6 1.0 CA A:ASP108 4.0 53.4 1.0 CA A:ARG107 4.1 53.3 1.0 CG B:3MY388 4.1 58.9 1.0 CE1 B:3MY388 4.1 53.8 1.0 CG A:ARG107 4.2 39.4 1.0 CD A:ARG107 4.3 49.9 1.0 N A:ARG107 4.3 52.3 1.0 OD1 A:ASP108 4.4 59.2 1.0 CD1 B:3MY388 4.6 55.6 1.0 OG A:SER106 4.6 55.5 1.0 C1 B:GHP390 4.7 46.4 1.0 O A:ARG107 4.8 53.9 1.0 C4 B:GHP390 4.8 54.7 1.0 C B:3FG389 4.9 47.0 1.0

Chlorine binding site 2 out of 4 in the Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl392 b:0.3 occ:1.00 CL B:OMY392 0.0 0.3 1.0 CE1 B:OMY392 1.7 53.6 1.0 CD1 B:OMY392 2.7 53.9 1.0 CZ B:OMY392 2.8 53.6 1.0 OCZ B:OMY392 3.1 47.8 1.0 C5 B:GHP390 3.1 51.3 1.0 C6 B:GHP390 3.3 46.2 1.0 CD A:ARG214 3.5 50.3 1.0 O2 B:GOL400 3.5 76.7 1.0 O A:HOH2069 3.9 53.6 1.0 C4 B:GHP390 4.0 54.7 1.0 CG B:OMY392 4.1 56.7 1.0 CE2 B:OMY392 4.1 44.4 1.0 NE A:ARG214 4.3 55.0 1.0 O A:HOH2065 4.3 39.1 1.0 C1 B:GHP390 4.3 46.4 1.0 C3 B:GOL400 4.4 65.3 1.0 O B:GHP390 4.5 50.0 1.0 O4 B:GHP390 4.5 59.2 1.0 C2 B:GOL400 4.5 70.0 1.0 CD2 B:OMY392 4.6 43.2 1.0 CG A:ARG214 4.7 45.8 1.0 NE A:ARG248 4.7 56.0 1.0 C B:GHP390 4.8 46.7 1.0 C3 B:GHP390 4.8 51.4 1.0 CZ A:ARG248 4.9 54.6 1.0 CZ A:ARG214 4.9 57.3 1.0 C2 B:GHP390 4.9 48.1 1.0 NH2 A:ARG248 5.0 55.4 1.0 NH1 A:ARG214 5.0 47.8 1.0

Chlorine binding site 3 out of 4 in the Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl388 b:99.8 occ:1.00 CL C:3MY388 0.0 99.8 1.0 CE2 C:3MY388 1.7 64.6 1.0 CD2 C:3MY388 2.7 67.1 1.0 CZ C:3MY388 2.7 59.4 1.0 OBD C:3MY388 3.0 68.7 1.0 C2 C:GHP390 3.2 64.5 1.0 C3 C:GHP390 3.5 62.5 1.0 CE A:MET208 3.7 24.8 1.0 CG C:3MY388 4.0 67.5 1.0 CE1 C:3MY388 4.1 61.4 1.0 C1 C:GHP390 4.5 72.5 1.0 CD1 C:3MY388 4.6 65.6 1.0 C4 C:GHP390 4.8 72.0 1.0 CB A:MET208 5.0 37.5 1.0

Chlorine binding site 4 out of 4 in the Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl392 b:89.4 occ:1.00 CL C:OMY392 0.0 89.4 1.0 CE1 C:OMY392 1.7 79.1 1.0 CD1 C:OMY392 2.7 83.2 1.0 CZ C:OMY392 2.8 78.3 1.0 OCZ C:OMY392 3.1 69.9 1.0 CB A:SER215 3.2 59.1 1.0 OG A:SER215 3.4 62.1 1.0 C6 C:GHP390 3.4 70.3 1.0 C5 C:GHP390 3.4 68.2 1.0 CA A:GLU212 3.7 42.1 1.0 CG A:GLU212 4.0 49.0 1.0 CG C:OMY392 4.0 86.0 1.0 CE2 C:OMY392 4.1 74.9 1.0 O C:GHP390 4.2 75.7 1.0 O A:GLU212 4.2 52.3 1.0 CB A:GLU212 4.2 44.0 1.0 O A:LEU211 4.3 38.2 1.0 C A:GLU212 4.5 48.1 1.0 N A:GLU212 4.5 37.5 1.0 C1 C:GHP390 4.5 72.5 1.0 CD2 C:OMY392 4.6 84.2 1.0 C4 C:GHP390 4.6 72.0 1.0 CA A:SER215 4.7 57.6 1.0 C A:LEU211 4.7 42.5 1.0 C C:GHP390 4.8 79.0 1.0

M.J.Bick, J.J.Banik, S.A.Darst, S.F.Brady. Crystal Structures of the Glycopeptide Sulfotransferase TEG12 in A Complex with the Teicoplanin Aglycone. Biochemistry V. 49 4159 2010.
ISSN: ISSN 0006-2960
PubMed: 20361791
DOI: 10.1021/BI100150V