Chlorine in PDB 6h4m: Tarp-Udp-Glcnac-3RBOP

The structure of Tarp-Udp-Glcnac-3RBOP, PDB code: 6h4m 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)	48.44 / 2.73
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	95.170, 210.750, 123.200, 90.00, 91.92, 90.00
R / Rfree (%)	18.9 / 23.3

The structure of Tarp-Udp-Glcnac-3RBOP also contains other interesting chemical elements:

Magnesium

(Mg)

15 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Tarp-Udp-Glcnac-3RBOP (pdb code 6h4m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Tarp-Udp-Glcnac-3RBOP, PDB code: 6h4m:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Tarp-Udp-Glcnac-3RBOP


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-3RBOP within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:47.1 occ:1.00 O B:HOH520 3.0 27.0 1.0 NZ B:LYS248 3.1 35.0 1.0 N B:ILE146 3.1 33.5 1.0 N B:ILE145 3.3 31.9 1.0 CG1 B:ILE146 3.4 39.2 1.0 CB B:ILE145 3.6 33.6 1.0 CB B:ILE146 3.8 36.7 1.0 CA B:ILE145 3.8 32.9 1.0 CE B:LYS248 3.9 32.5 1.0 C B:ILE145 3.9 31.7 1.0 CA B:ILE146 4.0 33.6 1.0 C B:ASP144 4.1 39.6 1.0 CB B:ASP144 4.2 58.3 1.0 O E:LYS55 4.3 38.5 1.0 CD2 B:LEU252 4.4 27.9 1.0 CA B:ASP144 4.4 47.7 1.0 CG1 B:ILE145 4.5 33.5 1.0 CG2 B:ILE145 4.5 33.4 1.0 CD1 B:ILE146 4.7 43.7 1.0 N B:ASP147 4.9 38.7 1.0 O B:ASP144 4.9 39.8 1.0 CD1 B:ILE145 4.9 35.1 1.0

Chlorine binding site 2 out of 12 in the Tarp-Udp-Glcnac-3RBOP


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-3RBOP within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:49.7 occ:1.00 OH B:TYR226 2.9 43.0 1.0 OAD B:FQ8401 3.0 0.8 1.0 NE2 B:GLN182 3.3 49.5 1.0 N B:GLN265 3.5 36.7 1.0 CZ B:TYR226 3.7 41.2 1.0 CE1 B:TYR226 3.7 38.1 1.0 NH2 B:ARG259 3.8 46.5 1.0 CA B:GLY264 3.8 32.9 1.0 C B:GLY264 4.1 35.1 1.0 CAR B:FQ8401 4.1 0.1 1.0 O B:HIS263 4.2 31.4 1.0 CBC B:FQ8401 4.3 0.6 1.0 CD B:GLN182 4.4 51.6 1.0 CB B:GLN265 4.4 42.9 1.0 CA B:GLN265 4.5 36.8 1.0 OE1 B:GLN182 4.5 44.3 1.0 CD1 B:LEU260 4.7 32.7 1.0 CB B:ALA179 4.7 40.4 1.0 OAF B:FQ8401 4.8 0.1 1.0 N B:GLY264 4.8 31.6 1.0 C B:HIS263 4.9 31.3 1.0 CZ B:ARG259 4.9 63.2 1.0 CD1 B:ILE230 5.0 35.1 1.0

Chlorine binding site 3 out of 12 in the Tarp-Udp-Glcnac-3RBOP


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-3RBOP within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl404 b:63.4 occ:1.00 OH C:TYR226 2.8 37.2 1.0 NE2 C:GLN182 3.3 39.9 1.0 NH2 C:ARG259 3.3 68.1 1.0 CZ C:TYR226 3.7 34.8 1.0 N C:GLN265 3.7 41.1 1.0 CE1 C:TYR226 3.7 37.0 1.0 CA C:GLY264 3.8 38.8 1.0 C C:GLY264 4.2 37.3 1.0 CD C:GLN182 4.3 47.0 1.0 OE1 C:GLN182 4.4 59.5 1.0 CZ C:ARG259 4.4 67.6 1.0 OAD C:FQ8401 4.4 0.2 1.0 O C:HIS263 4.4 40.9 1.0 CB C:GLN265 4.6 50.3 1.0 CB C:ALA179 4.6 50.9 1.0 CD1 C:LEU260 4.6 31.1 1.0 CBC C:FQ8401 4.6 0.9 1.0 CAR C:FQ8401 4.6 0.1 1.0 CA C:GLN265 4.7 42.4 1.0 CD1 C:ILE230 4.8 41.3 1.0 N C:GLY264 4.8 35.4 1.0 OH C:TYR256 4.8 37.5 1.0 NE C:ARG259 4.9 51.9 1.0 C C:HIS263 5.0 38.6 1.0 CE2 C:TYR226 5.0 35.9 1.0

Chlorine binding site 4 out of 12 in the Tarp-Udp-Glcnac-3RBOP


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-3RBOP within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl404 b:45.9 occ:1.00 OH F:TYR226 2.9 37.2 1.0 OAD F:FQ8401 3.4 0.5 1.0 NE2 F:GLN182 3.4 44.2 1.0 N F:GLN265 3.6 37.5 1.0 CE1 F:TYR226 3.7 38.8 1.0 CZ F:TYR226 3.7 40.5 1.0 CA F:GLY264 3.8 33.3 1.0 NH1 F:ARG259 3.9 61.2 1.0 C F:GLY264 4.1 34.4 1.0 O F:HIS263 4.4 45.6 1.0 CB F:GLN265 4.4 49.6 1.0 CD F:GLN182 4.4 48.0 1.0 CAR F:FQ8401 4.5 0.9 1.0 CBC F:FQ8401 4.5 0.9 1.0 CA F:GLN265 4.6 41.3 1.0 OE1 F:GLN182 4.6 45.2 1.0 CB F:ALA179 4.7 42.1 1.0 CD1 F:LEU260 4.8 36.9 1.0 N F:GLY264 4.8 34.6 1.0 CZ F:ARG259 4.9 64.0 1.0 C F:HIS263 5.0 38.0 1.0 CD1 F:ILE230 5.0 35.9 1.0

Chlorine binding site 5 out of 12 in the Tarp-Udp-Glcnac-3RBOP


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-3RBOP within 5.0Å range: probe atom residue distance (Å) B Occ O:Cl404 b:41.5 occ:1.00 OH O:TYR226 2.7 28.1 1.0 NE2 O:GLN182 3.5 43.0 1.0 N O:GLN265 3.5 43.6 1.0 CZ O:TYR226 3.6 33.4 1.0 CE1 O:TYR226 3.6 32.5 1.0 CA O:GLY264 3.8 35.1 1.0 C O:GLY264 4.1 36.6 1.0 CB O:GLN265 4.3 53.0 1.0 O O:HIS263 4.4 44.7 1.0 CA O:GLN265 4.5 45.0 1.0 NH2 O:ARG259 4.5 73.5 1.0 CD O:GLN182 4.5 42.5 1.0 CB O:ALA179 4.6 43.8 1.0 OE1 O:GLN182 4.7 48.9 1.0 CD1 O:LEU260 4.7 32.9 1.0 N O:GLY264 4.8 38.1 1.0 CE2 O:TYR226 4.9 31.4 1.0 CD1 O:TYR226 4.9 30.6 1.0 CD1 O:ILE230 4.9 44.8 1.0 C O:HIS263 5.0 36.7 1.0

Chlorine binding site 6 out of 12 in the Tarp-Udp-Glcnac-3RBOP


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-3RBOP within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl404 b:76.1 occ:1.00 OH P:TYR226 3.0 50.1 1.0 NE2 P:GLN182 3.3 72.3 1.0 NH1 P:ARG259 3.6 54.0 1.0 N P:GLN265 3.7 56.7 1.0 CE1 P:TYR226 3.8 50.1 1.0 CZ P:TYR226 3.8 54.7 1.0 OAD P:FQ8401 3.9 0.8 1.0 CA P:GLY264 4.0 54.4 1.0 C P:GLY264 4.2 55.3 1.0 O P:HIS263 4.4 60.0 1.0 CBC P:FQ8401 4.4 0.9 1.0 CD P:GLN182 4.4 72.6 1.0 CB P:GLN265 4.4 62.9 1.0 CAR P:FQ8401 4.5 0.9 1.0 OAE P:FQ8401 4.5 93.0 1.0 CA P:GLN265 4.6 60.3 1.0 OE1 P:GLN182 4.6 62.9 1.0 CB P:ALA179 4.7 62.6 1.0 CZ P:ARG259 4.7 63.4 1.0 N P:GLY264 4.9 63.6 1.0 CD1 P:LEU260 4.9 46.0 1.0

Chlorine binding site 7 out of 12 in the Tarp-Udp-Glcnac-3RBOP


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-3RBOP within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl404 b:44.4 occ:1.00 O E:HOH524 3.1 21.7 1.0 N E:ILE146 3.2 38.9 1.0 NZ E:LYS248 3.2 34.2 1.0 CG1 E:ILE146 3.4 50.6 1.0 N E:ILE145 3.5 35.8 1.0 CB E:ILE146 3.7 48.0 1.0 CB E:ILE145 3.9 33.3 1.0 CE E:LYS248 4.0 33.9 1.0 CA E:ILE145 4.0 34.9 1.0 CB E:ASP144 4.0 55.0 1.0 CA E:ILE146 4.1 40.0 1.0 C E:ILE145 4.1 37.3 1.0 C E:ASP144 4.1 41.2 1.0 CA E:ASP144 4.4 42.5 1.0 CD2 E:LEU252 4.7 31.4 1.0 CD1 E:ILE146 4.7 54.7 1.0 N E:ASP147 4.8 35.5 1.0 CG2 E:ILE145 4.8 32.0 1.0 CG1 E:ILE145 4.9 34.5 1.0 OD1 E:ASP144 5.0 71.6 1.0 O E:ASP144 5.0 42.3 1.0 CG E:ASP144 5.0 69.0 1.0 C E:ILE146 5.0 35.4 1.0

Chlorine binding site 8 out of 12 in the Tarp-Udp-Glcnac-3RBOP


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-3RBOP within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:48.0 occ:1.00 O H:HOH525 3.1 44.9 1.0 ND2 A:ASN245 3.3 48.3 1.0 N A:ASN245 3.5 38.3 1.0 CB A:ASN245 3.5 42.5 1.0 N A:LYS244 3.6 34.3 1.0 CA A:TYR243 3.7 34.2 1.0 CB A:LYS248 3.7 32.9 1.0 CG A:ASN245 3.8 43.2 1.0 CG A:LYS248 3.8 30.8 1.0 C A:TYR243 3.9 35.1 1.0 CE2 H:TYR56 3.9 40.4 1.0 CA A:ASN245 4.1 39.6 1.0 CE H:LYS55 4.1 59.0 1.0 O A:ILE242 4.3 41.8 1.0 CB A:TYR243 4.3 35.2 1.0 OH H:TYR56 4.4 38.3 1.0 C A:LYS244 4.5 35.7 1.0 CZ H:TYR56 4.5 40.4 1.0 CA A:LYS244 4.6 34.6 1.0 CD1 A:TYR243 4.6 39.2 1.0 O A:ASN245 4.6 37.1 1.0 CD2 H:TYR56 4.8 37.1 1.0 O A:TYR243 4.8 31.6 1.0 N A:TYR243 4.8 34.8 1.0 NZ H:LYS55 4.9 58.1 1.0 C A:ASN245 4.9 36.5 1.0 OD1 A:ASN245 4.9 47.4 1.0 CD H:LYS55 4.9 63.4 1.0 CD A:LYS248 4.9 29.6 1.0 CG A:TYR243 5.0 40.9 1.0

Chlorine binding site 9 out of 12 in the Tarp-Udp-Glcnac-3RBOP


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-3RBOP within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl404 b:65.2 occ:1.00 OH D:TYR226 2.7 44.4 1.0 NE2 D:GLN182 3.4 54.2 1.0 CE1 D:TYR226 3.5 40.7 1.0 CZ D:TYR226 3.5 43.1 1.0 NH1 D:ARG259 3.5 66.1 1.0 N D:GLN265 3.6 39.2 1.0 CA D:GLY264 4.0 32.9 1.0 CAR D:FQ8401 4.1 0.9 1.0 C D:GLY264 4.2 35.9 1.0 CB D:GLN265 4.3 55.2 1.0 CBC D:FQ8401 4.3 0.0 1.0 CB D:ALA179 4.4 55.5 1.0 CD D:GLN182 4.5 44.5 1.0 CA D:GLN265 4.5 44.0 1.0 OAF D:FQ8401 4.5 0.1 1.0 O D:HIS263 4.6 38.6 1.0 CZ D:ARG259 4.7 73.8 1.0 OE1 D:GLN182 4.7 39.3 1.0 CD1 D:TYR226 4.8 39.5 1.0 OAK D:FQ8401 4.8 0.4 1.0 CD1 D:LEU260 4.8 35.9 1.0 CE2 D:TYR226 4.8 43.9 1.0 CD1 D:ILE230 4.8 45.7 1.0 N D:GLY264 5.0 32.2 1.0

Chlorine binding site 10 out of 12 in the Tarp-Udp-Glcnac-3RBOP


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-3RBOP within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl405 b:38.5 occ:1.00 NZ H:LYS248 3.1 25.4 1.0 O H:HOH519 3.1 32.9 1.0 N H:ILE146 3.2 28.5 1.0 N H:ILE145 3.5 35.9 1.0 CE H:LYS248 3.8 25.2 1.0 CB H:ILE146 3.8 29.1 1.0 CB H:ILE145 3.9 32.9 1.0 CG1 H:ILE146 3.9 29.3 1.0 CD1 H:ILE146 4.0 33.0 1.0 CA H:ILE145 4.0 32.4 1.0 CA H:ILE146 4.1 31.0 1.0 C H:ILE145 4.1 31.6 1.0 CB H:ASP144 4.2 54.9 1.0 C H:ASP144 4.2 37.6 1.0 CD2 H:LEU252 4.5 33.6 1.0 CA H:ASP144 4.5 41.2 1.0 CG2 H:ILE145 4.7 36.0 1.0 CG1 H:ILE145 4.8 30.9 1.0 N H:ASP147 4.8 37.7 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