Chlorine in PDB 4eec: Crystal Structure of the Glycopeptide Antibiotic Sulfotransferase Stal Complexed with A3P and Desulfo-A47934.

The structure of Crystal Structure of the Glycopeptide Antibiotic Sulfotransferase Stal Complexed with A3P and Desulfo-A47934., PDB code: 4eec was solved by R.Shi, M.Cygler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.442, 82.583, 123.076, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 27.2

The binding sites of Chlorine atom in the Crystal Structure of the Glycopeptide Antibiotic Sulfotransferase Stal Complexed with A3P and Desulfo-A47934. (pdb code 4eec). 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 the Glycopeptide Antibiotic Sulfotransferase Stal Complexed with A3P and Desulfo-A47934., PDB code: 4eec:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Glycopeptide Antibiotic Sulfotransferase Stal Complexed with A3P and Desulfo-A47934.


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 the Glycopeptide Antibiotic Sulfotransferase Stal Complexed with A3P and Desulfo-A47934. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:72.8 occ:1.00 CL C:3MY402 0.0 72.8 1.0 CE2 C:3MY402 1.8 72.2 1.0 CD2 C:3MY402 2.8 69.9 1.0 CZ C:3MY402 2.8 71.0 1.0 OBD C:3MY402 3.0 70.8 1.0 CG B:ARG49 3.8 57.0 1.0 CG A:ARG49 3.8 54.4 1.0 C3 C:GHP404 4.1 80.6 1.0 CG C:3MY402 4.1 67.7 1.0 CE1 C:3MY402 4.1 70.6 1.0 CD B:ARG49 4.3 61.8 1.0 C2 C:GHP404 4.4 82.9 1.0 CB B:ARG49 4.4 55.1 1.0 CB A:ARG49 4.5 53.4 1.0 CA B:ARG49 4.5 55.5 1.0 O A:GLU45 4.5 48.0 1.0 CD1 C:3MY402 4.6 68.9 1.0 O C:3MY402 4.6 66.7 1.0 NE B:ARG49 4.8 67.3 1.0 CA A:ARG49 4.8 53.1 1.0 NE A:ARG49 4.9 63.3 1.0 C C:3MY402 5.0 68.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Glycopeptide Antibiotic Sulfotransferase Stal Complexed with A3P and Desulfo-A47934.


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 the Glycopeptide Antibiotic Sulfotransferase Stal Complexed with A3P and Desulfo-A47934. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl405 b:0.0 occ:1.00 CL3 C:0UZ405 0.0 0.0 1.0 C3 C:0UZ405 1.8 99.3 1.0 C2 C:0UZ405 2.7 97.2 1.0 C4 C:0UZ405 2.8 99.8 1.0 O4 C:0UZ405 3.2 99.5 1.0 CE A:LYS103 3.6 80.1 1.0 CG1 A:ILE131 3.8 59.9 1.0 CD1 A:ILE131 3.9 60.8 1.0 C1 C:0UZ405 4.0 96.3 1.0 C5 C:0UZ405 4.1 0.7 1.0 NZ A:LYS103 4.3 82.1 1.0 CG A:LYS103 4.5 77.5 1.0 CD A:LYS103 4.6 77.4 1.0 C6 C:0UZ405 4.6 97.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Glycopeptide Antibiotic Sulfotransferase Stal Complexed with A3P and Desulfo-A47934.


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 the Glycopeptide Antibiotic Sulfotransferase Stal Complexed with A3P and Desulfo-A47934. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl406 b:97.0 occ:1.00 CL C:OMY406 0.0 97.0 1.0 CE1 C:OMY406 1.8 96.6 1.0 CD1 C:OMY406 2.8 97.7 1.0 CZ C:OMY406 2.8 96.1 1.0 OCZ C:OMY406 3.0 93.4 1.0 C5 C:GHP404 3.1 85.7 1.0 C6 C:GHP404 3.5 84.2 1.0 C4 C:GHP404 3.7 82.8 1.0 O4 C:GHP404 4.1 81.7 1.0 CG C:OMY406 4.1 99.0 1.0 CE2 C:OMY406 4.1 96.6 1.0 C1 C:GHP404 4.3 83.5 1.0 C3 C:GHP404 4.5 80.6 1.0 CD2 C:OMY406 4.6 97.7 1.0 C2 C:GHP404 4.7 82.9 1.0 O C:GHP404 4.9 85.1 1.0 C C:GHP404 4.9 86.1 1.0

R.Shi, C.Munger, L.Kalan, T.Sulea, G.D.Wright, M.Cygler. Structural Basis of Sulfonation of the Glycopeptide Antibiotic Scaffold By the Sulfotransferase Stal Proc.Natl.Acad.Sci.Usa 2012.
ISSN: ESSN 1091-6490