Chlorine in PDB 2gwh: Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol

The structure of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol, PDB code: 2gwh was solved by W.Tempel, P.W.Pan, L.Dombrovski, A.Allali-Hassani, M.Vedadi, P.Loppnau, J.Weigelt, M.Sundstrom, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, A.N.Plotnikov, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.03 / 1.80
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	135.216, 135.216, 158.072, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 21.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol (pdb code 2gwh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol, PDB code: 2gwh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:32.4 occ:1.00 CL1 A:PCI402 0.0 32.4 1.0 C2 A:PCI402 1.7 32.5 1.0 C1 A:PCI402 2.7 33.9 1.0 C3 A:PCI402 2.7 34.4 1.0 O1 A:PCI402 2.9 31.3 1.0 CL2 A:PCI402 3.2 36.6 1.0 CZ3 A:TRP176 3.3 22.7 1.0 CH2 A:TRP176 3.4 22.2 1.0 CD2 A:HIS115 3.4 18.8 1.0 NE2 A:HIS115 3.4 17.6 1.0 C6 A:PCI402 4.0 34.3 1.0 C4 A:PCI402 4.0 34.3 1.0 CE2 A:PHE149 4.1 21.0 1.0 CE3 A:TRP176 4.1 21.9 1.0 CZ A:PHE88 4.2 17.4 1.0 O A:HOH1120 4.3 19.4 1.0 CB A:PRO54 4.3 19.9 1.0 CE1 A:PHE88 4.3 19.4 1.0 CZ2 A:TRP176 4.3 22.6 1.0 CG A:PRO54 4.4 20.2 1.0 C5 A:PCI402 4.5 33.9 1.0 CE1 A:HIS115 4.7 18.0 1.0 CG A:HIS115 4.7 17.9 1.0 CZ A:PHE149 4.9 22.2 1.0 CD2 A:PHE149 4.9 21.5 1.0 CD2 A:TRP176 5.0 19.8 1.0 CD2 A:LEU156 5.0 27.4 1.0

Chlorine binding site 2 out of 15 in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:36.6 occ:1.00 CL2 A:PCI402 0.0 36.6 1.0 C3 A:PCI402 1.7 34.4 1.0 C4 A:PCI402 2.7 34.3 1.0 C2 A:PCI402 2.7 32.5 1.0 CL1 A:PCI402 3.2 32.4 1.0 CL3 A:PCI402 3.2 36.2 1.0 CD2 A:LEU156 3.6 27.4 1.0 CG A:LEU156 3.9 26.7 1.0 C5 A:PCI402 3.9 33.9 1.0 ND2 A:ASN153 3.9 25.1 1.0 C1 A:PCI402 4.0 33.9 1.0 CH2 A:TRP176 4.0 22.2 1.0 CD1 A:LEU156 4.1 24.4 1.0 CZ3 A:TRP176 4.2 22.7 1.0 C6 A:PCI402 4.4 34.3 1.0 CD1 A:ILE93 4.5 33.9 1.0 CE2 A:PHE149 4.5 21.0 1.0 CB A:ALA155 4.8 26.3 1.0 CE1 A:PHE88 4.9 19.4 1.0 CG A:ASN153 4.9 26.6 1.0 CZ A:PHE149 5.0 22.2 1.0

Chlorine binding site 3 out of 15 in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:36.2 occ:1.00 CL3 A:PCI402 0.0 36.2 1.0 C4 A:PCI402 1.7 34.3 1.0 C5 A:PCI402 2.6 33.9 1.0 C3 A:PCI402 2.8 34.4 1.0 CL4 A:PCI402 3.0 42.3 1.0 CL2 A:PCI402 3.2 36.6 1.0 ND2 A:ASN153 3.3 25.1 1.0 CD1 A:ILE93 3.4 33.9 1.0 C6 A:PCI402 3.9 34.3 1.0 C2 A:PCI402 4.0 32.5 1.0 CE A:MET255 4.2 27.8 1.0 CG A:ASN153 4.2 26.6 1.0 OD1 A:ASN153 4.3 25.9 1.0 CB A:ALA155 4.3 26.3 1.0 CD1 A:LEU96 4.5 37.7 1.0 C1 A:PCI402 4.5 33.9 1.0 CG2 A:ILE254 4.8 29.0 1.0 CG1 A:ILE93 4.9 32.1 1.0

Chlorine binding site 4 out of 15 in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:42.3 occ:1.00 CL4 A:PCI402 0.0 42.3 1.0 C5 A:PCI402 1.7 33.9 1.0 C4 A:PCI402 2.7 34.3 1.0 C6 A:PCI402 2.7 34.3 1.0 CL5 A:PCI402 3.0 33.9 1.0 CL3 A:PCI402 3.0 36.2 1.0 CE A:MET255 3.1 27.8 1.0 CE2 A:TYR247 3.5 21.8 1.0 C3 A:PCI402 4.0 34.4 1.0 C1 A:PCI402 4.0 33.9 1.0 CD2 A:TYR247 4.0 20.9 1.0 O A:HOH1019 4.5 17.8 1.0 CZ A:TYR247 4.5 20.6 1.0 C2 A:PCI402 4.5 32.5 1.0 CD1 A:ILE250 4.5 27.2 1.0 OH A:TYR247 4.6 23.4 1.0 SD A:MET255 4.7 30.3 1.0 O A:HOH1133 4.7 45.4 1.0 CG1 A:ILE250 4.8 25.9 1.0 CZ A:PHE149 4.8 22.2 1.0 CD1 A:LEU96 4.9 37.7 1.0 ND2 A:ASN153 4.9 25.1 1.0

Chlorine binding site 5 out of 15 in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:33.9 occ:1.00 CL5 A:PCI402 0.0 33.9 1.0 C6 A:PCI402 1.7 34.3 1.0 C5 A:PCI402 2.6 33.9 1.0 C1 A:PCI402 2.7 33.9 1.0 O1 A:PCI402 3.0 31.3 1.0 NZ A:LYS113 3.0 19.1 1.0 CL4 A:PCI402 3.0 42.3 1.0 OH A:TYR247 3.1 23.4 1.0 CZ A:TYR247 3.3 20.6 1.0 CE2 A:TYR247 3.3 21.8 1.0 O A:HOH1019 3.5 17.8 1.0 C4 A:PCI402 3.9 34.3 1.0 C2 A:PCI402 4.0 32.5 1.0 CE1 A:PHE262 4.0 22.7 1.0 O A:HOH1027 4.0 21.3 1.0 CE1 A:TYR247 4.2 19.5 1.0 CD2 A:TYR247 4.3 20.9 1.0 CZ A:PHE262 4.3 22.3 1.0 C3 A:PCI402 4.4 34.4 1.0 CE A:LYS113 4.5 16.5 1.0 CZ A:PHE149 4.6 22.2 1.0 CE A:MET255 4.7 27.8 1.0 O A:HOH1120 4.8 19.4 1.0 CE1 A:PHE88 4.9 19.4 1.0 CD1 A:TYR247 5.0 22.6 1.0

Chlorine binding site 6 out of 15 in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:31.8 occ:1.00 CL1 B:PCI402 0.0 31.8 1.0 C2 B:PCI402 1.7 31.9 1.0 C1 B:PCI402 2.7 32.5 1.0 C3 B:PCI402 2.7 31.8 1.0 O1 B:PCI402 3.0 26.5 1.0 CL2 B:PCI402 3.2 35.1 1.0 CZ3 B:TRP176 3.3 18.5 1.0 CD2 B:HIS115 3.4 18.0 1.0 CH2 B:TRP176 3.4 18.3 1.0 NE2 B:HIS115 3.4 14.6 1.0 C4 B:PCI402 4.0 32.0 1.0 C6 B:PCI402 4.0 31.8 1.0 CZ B:PHE88 4.1 21.1 1.0 CE2 B:PHE149 4.1 19.9 1.0 CE3 B:TRP176 4.2 18.5 1.0 CE1 B:PHE88 4.2 19.6 1.0 O B:HOH1038 4.3 21.2 1.0 CZ2 B:TRP176 4.4 20.2 1.0 C5 B:PCI402 4.5 32.9 1.0 CB B:PRO54 4.5 17.1 1.0 CG B:PRO54 4.7 15.5 1.0 CG B:HIS115 4.7 18.4 1.0 CE1 B:HIS115 4.7 16.4 1.0 CZ B:PHE149 4.9 17.0 1.0

Chlorine binding site 7 out of 15 in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:35.1 occ:1.00 CL2 B:PCI402 0.0 35.1 1.0 C3 B:PCI402 1.7 31.8 1.0 C4 B:PCI402 2.7 32.0 1.0 C2 B:PCI402 2.7 31.9 1.0 CL3 B:PCI402 3.1 34.9 1.0 CL1 B:PCI402 3.2 31.8 1.0 ND2 B:ASN153 3.9 23.3 1.0 CG B:PRO28 3.9 23.7 1.0 CD2 B:LEU156 3.9 22.5 1.0 C5 B:PCI402 3.9 32.9 1.0 C1 B:PCI402 4.0 32.5 1.0 CG B:LEU156 4.0 21.6 1.0 CH2 B:TRP176 4.2 18.3 1.0 CD1 B:LEU156 4.3 21.3 1.0 CD1 B:ILE93 4.3 27.8 1.0 CZ3 B:TRP176 4.3 18.5 1.0 C6 B:PCI402 4.5 31.8 1.0 CB B:PRO28 4.5 25.7 1.0 CE2 B:PHE149 4.6 19.9 1.0 CB B:ALA155 4.7 23.7 1.0 CG B:ASN153 4.8 24.5 1.0 CE1 B:PHE88 4.9 19.6 1.0 OD1 B:ASN153 5.0 26.9 1.0

Chlorine binding site 8 out of 15 in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:34.9 occ:1.00 CL3 B:PCI402 0.0 34.9 1.0 C4 B:PCI402 1.7 32.0 1.0 C5 B:PCI402 2.6 32.9 1.0 C3 B:PCI402 2.7 31.8 1.0 CL4 B:PCI402 2.9 42.4 1.0 CL2 B:PCI402 3.1 35.1 1.0 ND2 B:ASN153 3.4 23.3 1.0 CD1 B:ILE93 3.6 27.8 1.0 C6 B:PCI402 3.9 31.8 1.0 C2 B:PCI402 4.0 31.9 1.0 CD1 B:LEU96 4.0 29.1 1.0 OD1 B:ASN153 4.2 26.9 1.0 CG B:ASN153 4.2 24.5 1.0 CE B:MET255 4.2 19.9 1.0 CB B:ALA155 4.3 23.7 1.0 CG2 B:ILE254 4.5 35.3 1.0 C1 B:PCI402 4.5 32.5 1.0

Chlorine binding site 9 out of 15 in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:42.4 occ:1.00 CL4 B:PCI402 0.0 42.4 1.0 C5 B:PCI402 1.7 32.9 1.0 C4 B:PCI402 2.6 32.0 1.0 C6 B:PCI402 2.7 31.8 1.0 CL3 B:PCI402 2.9 34.9 1.0 CE B:MET255 3.0 19.9 1.0 CL5 B:PCI402 3.2 33.8 1.0 CE2 B:TYR247 3.6 23.2 1.0 C3 B:PCI402 3.9 31.8 1.0 C1 B:PCI402 4.0 32.5 1.0 CD2 B:TYR247 4.0 24.0 1.0 O B:HOH1050 4.5 20.7 1.0 CD1 B:ILE250 4.5 24.9 1.0 C2 B:PCI402 4.5 31.9 1.0 CZ B:TYR247 4.6 24.2 1.0 SD B:MET255 4.6 26.1 1.0 CD1 B:LEU96 4.6 29.1 1.0 CG1 B:ILE250 4.7 25.4 1.0 OH B:TYR247 4.8 24.0 1.0 ND2 B:ASN153 4.8 23.3 1.0 O B:HOH1160 4.8 31.1 1.0 CZ B:PHE149 4.9 17.0 1.0

Chlorine binding site 10 out of 15 in the Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Human Sulfotranferase SULT1C2 in Complex with Pap and Pentachlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:33.8 occ:1.00 CL5 B:PCI402 0.0 33.8 1.0 C6 B:PCI402 1.7 31.8 1.0 C1 B:PCI402 2.7 32.5 1.0 C5 B:PCI402 2.7 32.9 1.0 O1 B:PCI402 2.9 26.5 1.0 NZ B:LYS113 2.9 19.3 1.0 OH B:TYR247 3.0 24.0 1.0 CL4 B:PCI402 3.2 42.4 1.0 CZ B:TYR247 3.3 24.2 1.0 CE2 B:TYR247 3.3 23.2 1.0 O B:HOH1050 3.4 20.7 1.0 O B:HOH1031 3.8 23.8 1.0 C4 B:PCI402 3.9 32.0 1.0 C2 B:PCI402 4.0 31.9 1.0 CE1 B:PHE262 4.1 21.4 1.0 CE1 B:TYR247 4.2 25.5 1.0 CD2 B:TYR247 4.3 24.0 1.0 CZ B:PHE262 4.3 20.6 1.0 CE B:LYS113 4.4 19.0 1.0 C3 B:PCI402 4.5 31.8 1.0 CZ B:PHE149 4.6 17.0 1.0 CE B:MET255 4.7 19.9 1.0 O B:HOH1038 4.8 21.2 1.0 CE1 B:PHE88 4.9 19.6 1.0

A.Allali-Hassani, P.W.Pan, L.Dombrovski, R.Najmanovich, W.Tempel, A.Dong, P.Loppnau, F.Martin, J.Thornton, J.Thonton, A.M.Edwards, A.Bochkarev, A.N.Plotnikov, M.Vedadi, C.H.Arrowsmith. Structural and Chemical Profiling of the Human Cytosolic Sulfotransferases. Plos Biol. V. 5 E97 2007.
ISSN: ISSN 1544-9173
PubMed: 17425406
DOI: 10.1371/JOURNAL.PBIO.0050097