Chlorine in PDB 6h2n: Tarp-Udp-Glcnac-Mg

The structure of Tarp-Udp-Glcnac-Mg, PDB code: 6h2n was solved by Y.Guo, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.63 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.850, 95.270, 130.220, 90.00, 93.49, 90.00
R / Rfree (%)	17.8 / 22.6

The structure of Tarp-Udp-Glcnac-Mg also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Chlorine atom in the Tarp-Udp-Glcnac-Mg (pdb code 6h2n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 20 binding sites of Chlorine where determined in the Tarp-Udp-Glcnac-Mg, PDB code: 6h2n:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 20 in the Tarp-Udp-Glcnac-Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tarp-Udp-Glcnac-Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:43.5 occ:1.00 OH A:TYR226 3.0 33.5 1.0 NE2 A:GLN182 3.0 36.3 1.0 NH2 A:ARG259 3.4 40.5 1.0 N A:GLN265 3.5 36.7 1.0 CA A:GLY264 3.6 35.6 1.0 CE1 A:TYR226 3.7 34.8 1.0 CZ A:TYR226 3.8 33.9 1.0 NH1 A:ARG259 3.8 44.5 1.0 C A:GLY264 4.0 36.2 1.0 CZ A:ARG259 4.0 41.2 1.0 CD A:GLN182 4.2 36.5 1.0 O A:HIS263 4.4 36.4 1.0 CD1 A:LEU260 4.5 33.0 1.0 CB A:GLN265 4.5 42.5 1.0 CB A:ALA179 4.5 46.4 1.0 OE1 A:GLN182 4.6 36.2 1.0 CA A:GLN265 4.6 38.8 1.0 CD1 A:ILE230 4.6 33.5 1.0 N A:GLY264 4.7 36.0 1.0 OH A:TYR256 4.9 32.6 1.0 C A:HIS263 4.9 36.8 1.0 CD1 A:TYR226 5.0 35.5 1.0

Chlorine binding site 2 out of 20 in the Tarp-Udp-Glcnac-Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tarp-Udp-Glcnac-Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:40.7 occ:1.00 O B:HOH572 3.1 18.6 1.0 N A:TYR276 3.1 33.1 1.0 O A:HOH627 3.7 33.0 1.0 CB A:TYR276 3.7 31.2 1.0 O B:HOH857 3.8 53.8 1.0 CA A:LYS275 3.8 36.7 1.0 O B:HOH568 4.0 16.4 1.0 C A:LYS275 4.0 34.3 1.0 CA A:TYR276 4.0 31.6 1.0 CB B:ARG295 4.0 16.9 1.0 O B:ARG295 4.1 17.6 1.0 CB A:LYS275 4.2 39.1 1.0 CG A:LYS275 4.4 42.4 1.0 O A:HOH545 4.4 47.5 1.0 C B:ARG295 4.5 17.3 1.0 O A:HOH607 4.6 43.0 1.0 CD B:ARG295 4.6 16.8 1.0 CD A:LYS275 4.7 45.4 1.0 CG B:ARG295 4.9 16.6 1.0 CA B:ARG295 4.9 16.6 1.0

Chlorine binding site 3 out of 20 in the Tarp-Udp-Glcnac-Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tarp-Udp-Glcnac-Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:64.9 occ:1.00 O A:HOH596 2.8 34.4 1.0 N A:LEU154 3.1 35.6 1.0 C A:TYR152 3.4 35.0 1.0 O A:TYR152 3.5 35.0 1.0 N A:ALA153 3.6 35.6 1.0 CB A:LEU154 3.7 35.3 1.0 O A:PHE151 3.8 33.3 1.0 CA A:ALA153 3.9 36.4 1.0 CA A:LEU154 4.0 35.6 1.0 C A:ALA153 4.0 36.6 1.0 CA A:TYR152 4.0 34.1 1.0 O A:HOH684 4.1 56.9 1.0 CG A:LEU154 4.3 34.7 1.0 NE A:ARG259 4.3 40.4 1.0 C A:PHE151 4.5 33.4 1.0 NH1 A:ARG259 4.5 44.5 1.0 N A:TYR152 4.6 33.6 1.0 C A:LEU154 4.7 35.9 1.0 N A:SER155 4.8 36.3 1.0 CD1 A:LEU154 4.8 34.1 1.0 CZ A:ARG259 4.8 41.2 1.0

Chlorine binding site 4 out of 20 in the Tarp-Udp-Glcnac-Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tarp-Udp-Glcnac-Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:70.5 occ:1.00 O A:HOH645 3.2 30.0 1.0 CB A:SER221 3.2 68.8 1.0 N A:TYR226 3.3 38.5 1.0 N A:GLY223 3.3 48.0 1.0 CA A:GLY223 3.3 46.0 1.0 CB A:TYR226 3.6 36.4 1.0 C A:GLY223 3.6 44.4 1.0 N A:GLN225 3.7 43.4 1.0 N A:ASN224 3.8 44.1 1.0 CA A:SER221 3.9 70.6 1.0 CA A:TYR226 4.0 36.9 1.0 CB A:GLN225 4.1 45.1 1.0 CA A:GLN225 4.2 43.0 1.0 C A:GLN225 4.2 40.2 1.0 N A:THR222 4.3 63.1 1.0 C A:SER221 4.3 66.9 1.0 O A:GLY223 4.3 42.8 1.0 C A:THR222 4.6 53.0 1.0 C A:ASN224 4.6 43.1 1.0 O A:HOH651 4.7 55.8 1.0 CA A:ASN224 4.8 44.2 1.0 CZ3 A:TRP282 4.8 33.0 1.0 CG A:GLN225 4.9 47.0 1.0 CG A:TYR226 4.9 35.5 1.0

Chlorine binding site 5 out of 20 in the Tarp-Udp-Glcnac-Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tarp-Udp-Glcnac-Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:21.1 occ:1.00 NZ B:LYS248 2.9 15.8 1.0 O B:HOH643 3.2 18.4 1.0 O B:HOH558 3.2 13.9 1.0 N B:ILE146 3.3 16.7 1.0 N B:ILE145 3.6 17.4 1.0 CE B:LYS248 3.6 15.8 1.0 CG1 B:ILE146 3.7 16.6 1.0 CB B:ILE146 3.8 17.0 1.0 CD1 B:ILE146 3.9 17.2 1.0 CB B:ILE145 4.0 16.2 1.0 CA B:ILE145 4.1 16.4 1.0 CA B:ILE146 4.1 17.0 1.0 CB B:ASP144 4.2 20.0 1.0 C B:ILE145 4.2 16.6 1.0 C B:ASP144 4.3 17.7 1.0 CD2 B:LEU252 4.4 15.5 1.0 CA B:ASP144 4.6 18.8 1.0 N B:ASP147 4.9 17.9 1.0 CG2 B:ILE145 4.9 15.7 1.0 CG1 B:ILE145 4.9 16.0 1.0

Chlorine binding site 6 out of 20 in the Tarp-Udp-Glcnac-Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Tarp-Udp-Glcnac-Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:22.6 occ:1.00 O B:HOH723 2.8 54.6 1.0 OH B:TYR56 3.2 24.8 1.0 O B:HOH758 3.3 32.5 1.0 CE1 B:TYR56 3.7 22.8 1.0 CZ B:TYR56 3.9 23.1 1.0 OG B:SER22 4.3 20.6 0.3 CD1 B:TYR56 4.9 22.3 1.0

Chlorine binding site 7 out of 20 in the Tarp-Udp-Glcnac-Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Tarp-Udp-Glcnac-Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:41.0 occ:1.00 O B:HOH668 2.7 41.7 1.0 O B:HOH864 3.7 54.3 1.0 CA B:GLY58 4.1 21.0 1.0 O B:GLY58 4.1 20.1 1.0 C B:GLY58 4.4 20.3 1.0 O B:HOH812 4.8 39.2 1.0 O B:LYS57 4.9 22.2 1.0

Chlorine binding site 8 out of 20 in the Tarp-Udp-Glcnac-Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Tarp-Udp-Glcnac-Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl407 b:40.6 occ:1.00 ND2 B:ASN77 3.1 21.3 1.0 CB B:ASN77 3.6 21.5 1.0 CA B:VAL74 3.8 22.9 1.0 CG B:ASN77 3.8 21.2 1.0 CG2 B:VAL74 3.9 25.8 1.0 CG1 B:VAL74 4.0 25.9 1.0 CB B:VAL74 4.1 24.7 1.0 CG2 B:THR174 4.4 36.4 1.0 O B:VAL74 4.4 22.0 1.0 C B:VAL74 4.6 22.4 1.0 NZ B:LYS81 4.7 45.1 1.0 N B:VAL74 4.7 22.1 1.0 O B:SER73 4.9 21.4 1.0 CA B:ASN77 5.0 20.9 1.0

Chlorine binding site 9 out of 20 in the Tarp-Udp-Glcnac-Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Tarp-Udp-Glcnac-Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl408 b:20.4 occ:1.00 O B:HOH840 2.8 37.7 1.0 OG B:SER155 3.1 15.8 1.0 C B:ALA153 3.3 15.6 1.0 CB B:SER155 3.4 16.0 1.0 N B:SER155 3.4 15.6 1.0 NZ B:LYS158 3.4 15.1 1.0 CA B:ALA153 3.4 16.4 1.0 O B:HOH819 3.4 40.3 1.0 CG B:PRO131 3.5 36.9 1.0 O B:ALA153 3.5 15.4 1.0 CE2 B:TYR121 3.6 18.1 1.0 CB B:ALA153 3.7 17.0 1.0 N B:LEU154 3.8 15.2 1.0 OH B:TYR121 3.9 17.6 1.0 CZ B:TYR121 3.9 17.9 1.0 CA B:SER155 3.9 15.5 1.0 CD B:PRO131 4.1 35.5 1.0 CD2 B:TYR121 4.4 18.8 1.0 C B:LEU154 4.4 14.9 1.0 O B:SER155 4.6 15.5 1.0 CA B:LEU154 4.7 15.0 1.0 CE B:LYS158 4.7 15.0 1.0 CB B:PRO131 4.7 36.1 1.0 C B:SER155 4.7 15.7 1.0 N B:ALA153 4.8 15.7 1.0 O B:HOH795 4.8 48.0 1.0 CE1 B:TYR121 4.9 18.0 1.0

Chlorine binding site 10 out of 20 in the Tarp-Udp-Glcnac-Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Tarp-Udp-Glcnac-Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl409 b:43.3 occ:1.00 O B:HOH548 2.9 51.1 1.0 NE B:ARG259 3.2 22.0 1.0 O B:HOH646 3.3 36.1 1.0 NH1 B:ARG259 3.5 24.4 1.0 CB B:HIS263 3.8 24.3 1.0 CD2 B:HIS263 3.8 25.6 1.0 CA B:TYR152 3.8 16.8 1.0 CZ B:ARG259 3.8 23.1 1.0 O B:TYR152 3.9 16.8 1.0 CG B:HIS263 3.9 25.2 1.0 CD2 B:TYR152 4.0 18.9 1.0 CG B:ARG259 4.0 19.5 1.0 C B:TYR152 4.1 16.6 1.0 CD B:ARG259 4.2 19.7 1.0 O B:PHE151 4.2 15.7 1.0 CB B:TYR152 4.4 17.6 1.0 CG B:TYR152 4.6 18.3 1.0 NE2 B:HIS263 4.8 26.1 1.0 N B:TYR152 4.8 16.0 1.0 CE2 B:TYR152 4.9 18.8 1.0 C B:PHE151 5.0 15.7 1.0

D.Gerlach, Y.Guo, C.De Castro, S.H.Kim, K.Schlatterer, F.F.Xu, C.Pereira, P.H.Seeberger, S.Ali, J.Codee, W.Sirisarn, B.Schulte, C.Wolz, J.Larsen, A.Molinaro, B.L.Lee, G.Xia, T.Stehle, A.Peschel. Methicillin-Resistant Staphylococcus Aureus Alters Cell Wall Glycosylation to Evade Immunity. Nature V. 563 705 2018.
ISSN: ESSN 1476-4687
PubMed: 30464342
DOI: 10.1038/S41586-018-0730-X