Chlorine in PDB 3mgb: Teg 12 Ternary Structure Complexed with Pap and the Teicoplanin Aglycone

The structure of Teg 12 Ternary Structure Complexed with Pap and the Teicoplanin Aglycone, PDB code: 3mgb 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)	32.95 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.001, 78.344, 99.741, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 22.5

The binding sites of Chlorine atom in the Teg 12 Ternary Structure Complexed with Pap and the Teicoplanin Aglycone (pdb code 3mgb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Teg 12 Ternary Structure Complexed with Pap and the Teicoplanin Aglycone, PDB code: 3mgb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Teg 12 Ternary Structure Complexed with Pap and 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 Ternary Structure Complexed with Pap and the Teicoplanin Aglycone within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl388 b:60.3 occ:1.00 CL C:3MY388 0.0 60.3 1.0 CE2 C:3MY388 1.7 28.4 1.0 CD2 C:3MY388 2.7 28.8 1.0 CZ C:3MY388 2.7 27.1 1.0 OBD C:3MY388 3.0 26.7 1.0 O C:HOH2003 3.6 38.0 1.0 C2 C:GHP390 3.6 25.5 1.0 C3 C:GHP390 3.7 23.2 1.0 CG A:LYS213 3.8 25.6 1.0 CG A:GLU212 3.9 26.3 1.0 CG C:3MY388 4.0 27.0 1.0 CE1 C:3MY388 4.1 25.1 1.0 CA A:LYS213 4.1 20.2 1.0 O A:HOH2143 4.2 42.2 1.0 O C:HOH2004 4.2 40.8 1.0 CD A:GLU212 4.2 29.5 1.0 N A:LYS213 4.3 19.6 1.0 C A:GLU212 4.4 24.9 1.0 OE2 A:GLU212 4.4 31.4 1.0 O A:GLU212 4.5 25.6 1.0 CB A:LYS213 4.5 23.1 1.0 CD1 C:3MY388 4.6 26.7 1.0 CB A:GLU212 4.6 24.1 1.0 CE A:MET232 4.7 25.0 1.0 CG A:GLN242 4.8 35.5 1.0 OE1 A:GLU212 4.8 25.7 1.0 O A:HOH2144 4.8 40.5 1.0 CD A:LYS213 4.9 28.8 1.0 C1 C:GHP390 5.0 24.3 1.0

Chlorine binding site 2 out of 5 in the Teg 12 Ternary Structure Complexed with Pap and 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 Ternary Structure Complexed with Pap and the Teicoplanin Aglycone within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl392 b:66.6 occ:1.00 CL C:OMY392 0.0 66.6 1.0 CE1 C:OMY392 1.7 26.1 1.0 CD1 C:OMY392 2.7 24.2 1.0 CZ C:OMY392 2.8 23.4 1.0 OCZ C:OMY392 3.1 24.3 1.0 C6 C:GHP390 3.3 25.3 1.0 C5 C:GHP390 3.4 23.9 1.0 CG C:OMY392 4.0 26.1 1.0 O C:GHP390 4.1 23.4 1.0 CE2 C:OMY392 4.1 22.7 1.0 C1 C:GHP390 4.5 24.3 1.0 C4 C:GHP390 4.5 23.0 1.0 O C:HOH2006 4.5 37.2 1.0 CD2 C:OMY392 4.6 25.7 1.0 C C:GHP390 4.7 27.7 1.0 O C:HOH2009 4.8 24.9 1.0

Chlorine binding site 3 out of 5 in the Teg 12 Ternary Structure Complexed with Pap and 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 Ternary Structure Complexed with Pap and the Teicoplanin Aglycone within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl388 b:66.5 occ:0.00 CL D:3MY388 0.0 66.5 0.0 CE2 D:3MY388 1.7 29.5 1.0 CD2 D:3MY388 2.7 28.6 1.0 CZ D:3MY388 2.7 26.7 1.0 OBD D:3MY388 3.0 25.0 1.0 OE1 A:GLU210 3.0 50.6 1.0 O A:HOH2139 3.5 68.2 1.0 C3 D:GHP390 3.6 23.6 1.0 CE A:LYS213 3.9 29.2 1.0 C2 D:GHP390 4.0 22.7 1.0 CG D:3MY388 4.1 26.6 1.0 CE1 D:3MY388 4.1 26.4 1.0 CD A:GLU210 4.2 46.6 1.0 NZ A:LYS213 4.3 30.9 1.0 CB A:LYS213 4.5 23.1 1.0 O D:3MY388 4.6 25.8 1.0 CD1 D:3MY388 4.6 26.2 1.0 C4 D:GHP390 4.6 21.7 1.0 O A:GLU210 4.7 18.6 1.0 OE2 A:GLU210 4.7 46.9 1.0 CD A:LYS213 4.8 28.8 1.0 O4 D:GHP390 4.9 24.0 1.0 CA A:GLU210 5.0 24.1 1.0

Chlorine binding site 4 out of 5 in the Teg 12 Ternary Structure Complexed with Pap and 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 Ternary Structure Complexed with Pap and the Teicoplanin Aglycone within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl392 b:68.8 occ:0.00 CL D:OMY392 0.0 68.8 0.0 CE1 D:OMY392 1.7 26.7 1.0 CD1 D:OMY392 2.8 22.7 1.0 CZ D:OMY392 2.8 24.4 1.0 OCZ D:OMY392 3.1 25.6 1.0 C6 D:GHP390 3.3 21.8 1.0 C5 D:GHP390 3.4 22.2 1.0 CB A:HIS-26 3.8 30.0 1.0 CG D:OMY392 4.1 24.4 1.0 CE2 D:OMY392 4.1 26.3 1.0 O D:GHP390 4.3 22.7 1.0 CD2 C:OMY392 4.4 25.7 1.0 CA A:HIS-26 4.5 26.5 1.0 C1 D:GHP390 4.5 23.6 1.0 CE2 C:OMY392 4.5 22.7 1.0 C4 D:GHP390 4.6 21.7 1.0 CD2 D:OMY392 4.6 25.4 1.0 C D:GHP390 4.7 23.7 1.0 CG C:OMY392 4.8 26.1 1.0 O A:HIS-27 4.9 24.2 1.0 CG A:HIS-26 4.9 34.7 1.0

Chlorine binding site 5 out of 5 in the Teg 12 Ternary Structure Complexed with Pap and the Teicoplanin Aglycone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Teg 12 Ternary Structure Complexed with Pap and the Teicoplanin Aglycone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl289 b:65.4 occ:1.00 O D:HOH2010 3.1 32.1 1.0 N A:HIS-24 3.2 27.8 1.0 CD2 A:HIS-24 3.5 34.9 1.0 OD1 D:3FG393 3.7 32.8 1.0 ND1 A:HIS-25 3.8 25.6 1.0 CA A:HIS-25 3.9 25.2 1.0 CB A:HIS-24 4.0 34.9 1.0 CG A:HIS-24 4.0 35.2 1.0 C A:HIS-25 4.0 25.6 1.0 CA A:HIS-24 4.1 33.2 1.0 CE1 A:HIS-25 4.4 27.1 1.0 O A:HIS-26 4.4 27.7 1.0 CG A:HIS-25 4.4 25.7 1.0 O A:HIS-24 4.6 33.0 1.0 NE2 A:HIS-24 4.7 37.3 1.0 CB A:HIS-25 4.7 24.2 1.0 C A:HIS-24 4.8 32.1 1.0 CH3 A:ACT288 4.9 59.5 1.0 N A:HIS-25 4.9 23.4 1.0 CD1 D:3FG393 5.0 31.8 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