Chlorine in PDB 6hnq: Tarp-6RBOP-(CH2)6NH2

The structure of Tarp-6RBOP-(CH2)6NH2, PDB code: 6hnq 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)	48.51 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	95.410, 211.250, 122.680, 90.00, 91.61, 90.00
R / Rfree (%)	18.4 / 22.8

The structure of Tarp-6RBOP-(CH2)6NH2 also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Chlorine atom in the Tarp-6RBOP-(CH2)6NH2 (pdb code 6hnq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 17 binding sites of Chlorine where determined in the Tarp-6RBOP-(CH2)6NH2, PDB code: 6hnq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 17 in the Tarp-6RBOP-(CH2)6NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tarp-6RBOP-(CH2)6NH2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:45.0 occ:1.00 N B:ASN245 3.4 36.2 1.0 N B:LYS244 3.4 37.6 1.0 OH E:TYR56 3.4 37.3 1.0 O E:HOH597 3.4 56.1 1.0 CA B:TYR243 3.6 32.6 1.0 CB B:ASN245 3.6 42.2 1.0 C B:TYR243 3.8 33.4 1.0 CE1 E:TYR56 3.9 33.4 1.0 CB B:LYS248 4.0 32.5 1.0 CG B:LYS248 4.1 31.0 1.0 O B:ILE242 4.1 47.0 1.0 CA B:ASN245 4.1 38.8 1.0 CZ E:TYR56 4.1 33.4 1.0 CB B:TYR243 4.3 31.8 1.0 C B:LYS244 4.4 37.4 1.0 CA B:LYS244 4.4 41.0 1.0 CD1 B:TYR243 4.6 31.5 1.0 N B:TYR243 4.7 38.5 1.0 O B:ASN245 4.7 35.4 1.0 O B:TYR243 4.7 35.1 1.0 C B:ILE242 4.8 39.4 1.0 CG B:ASN245 4.9 41.0 1.0 CG B:TYR243 4.9 33.4 1.0 C B:ASN245 5.0 38.9 1.0 CB B:LYS244 5.0 45.2 1.0

Chlorine binding site 2 out of 17 in the Tarp-6RBOP-(CH2)6NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tarp-6RBOP-(CH2)6NH2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:51.5 occ:1.00 CA B:GLY223 3.2 43.2 1.0 N B:GLY223 3.2 47.8 1.0 N B:TYR226 3.4 32.4 1.0 O A:HOH603 3.5 44.0 1.0 C B:GLY223 3.5 40.8 1.0 N B:GLN225 3.5 39.7 1.0 N B:ASN224 3.7 40.4 1.0 CB B:SER221 3.8 77.3 1.0 CB B:TYR226 3.8 31.0 1.0 CB B:GLN225 3.9 48.0 1.0 CA B:GLN225 4.0 43.4 1.0 O B:GLY223 4.1 38.8 1.0 C B:GLN225 4.2 39.0 1.0 CA B:TYR226 4.2 32.0 1.0 OG B:SER221 4.3 86.3 1.0 N B:THR222 4.5 77.3 1.0 C B:ASN224 4.5 37.4 1.0 C B:THR222 4.5 64.2 1.0 CG B:GLN225 4.6 56.2 1.0 CA B:SER221 4.6 79.5 1.0 OG1 B:THR222 4.7 55.9 1.0 CA B:ASN224 4.7 39.7 1.0 OE1 B:GLN225 4.8 67.2 1.0 C B:SER221 4.8 77.2 1.0 CZ3 B:TRP282 4.9 32.4 1.0

Chlorine binding site 3 out of 17 in the Tarp-6RBOP-(CH2)6NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tarp-6RBOP-(CH2)6NH2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:57.4 occ:1.00 OH B:TYR226 2.9 40.7 1.0 OAD B:FQ8401 3.0 71.9 1.0 NE2 B:GLN182 3.2 30.0 1.0 CE1 B:TYR226 3.6 32.2 1.0 CZ B:TYR226 3.7 41.1 1.0 N B:GLN265 3.7 43.5 1.0 CA B:GLY264 3.8 39.3 1.0 CAR B:FQ8401 4.0 96.8 1.0 CBC B:FQ8401 4.1 0.5 1.0 C B:GLY264 4.2 35.7 1.0 NH2 B:ARG259 4.2 71.4 1.0 CD B:GLN182 4.2 42.9 1.0 OE1 B:GLN182 4.4 36.6 1.0 O B:HIS263 4.4 40.0 1.0 CB B:GLN265 4.6 51.0 1.0 CB B:ALA179 4.6 38.2 1.0 OAE B:FQ8401 4.7 0.1 1.0 CA B:GLN265 4.7 46.8 1.0 N B:GLY264 4.8 41.2 1.0 CD1 B:LEU260 4.8 36.4 1.0 CD1 B:TYR226 4.9 32.1 1.0 OH B:TYR256 4.9 43.9 1.0 NE B:ARG259 5.0 52.1 1.0 CD1 B:ILE230 5.0 29.5 1.0

Chlorine binding site 4 out of 17 in the Tarp-6RBOP-(CH2)6NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tarp-6RBOP-(CH2)6NH2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:45.0 occ:1.00 NZ B:LYS248 3.1 31.7 1.0 O B:HOH573 3.1 39.4 1.0 O B:HOH541 3.1 30.3 1.0 N B:ILE146 3.3 32.5 1.0 N B:ILE145 3.5 28.6 1.0 CG1 B:ILE146 3.7 41.9 1.0 CE B:LYS248 3.8 32.5 1.0 CB B:ILE146 3.8 40.8 1.0 CB B:ILE145 3.9 29.8 1.0 CA B:ILE145 4.0 30.4 1.0 C B:ASP144 4.1 32.0 1.0 C B:ILE145 4.1 32.0 1.0 CB B:ASP144 4.2 38.4 1.0 CA B:ILE146 4.2 37.9 1.0 O E:LYS55 4.3 37.4 1.0 CA B:ASP144 4.4 37.2 1.0 CD1 B:ILE146 4.5 45.6 1.0 CD2 B:LEU252 4.5 27.6 1.0 CG2 B:ILE145 4.8 33.8 1.0 CG1 B:ILE145 4.8 31.4 1.0 OD1 B:ASP144 4.8 47.9 1.0 N B:ASP147 4.9 40.2 1.0 CD E:LYS55 5.0 56.4 1.0 CA E:LYS55 5.0 41.0 1.0 C E:LYS55 5.0 39.1 1.0 O B:ASP144 5.0 38.3 1.0

Chlorine binding site 5 out of 17 in the Tarp-6RBOP-(CH2)6NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tarp-6RBOP-(CH2)6NH2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl407 b:71.7 occ:1.00 ND2 B:ASN231 3.2 28.2 1.0 NZ B:LYS292 3.5 56.0 1.0 CE B:LYS292 3.8 50.3 1.0 OD1 B:ASN231 3.8 40.8 1.0 CG B:ASN231 3.9 30.4 1.0 CD B:LYS292 3.9 43.0 1.0 NZ B:LYS235 4.0 72.1 1.0 CD B:LYS235 4.4 56.2 1.0 CE B:LYS235 4.8 69.7 1.0

Chlorine binding site 6 out of 17 in the Tarp-6RBOP-(CH2)6NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Tarp-6RBOP-(CH2)6NH2 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl402 b:77.7 occ:1.00 N F:GLU180 3.2 38.7 1.0 CB F:GLU180 3.4 46.3 1.0 O F:LYS177 3.6 58.0 1.0 N F:ASP181 3.6 36.9 1.0 CA F:GLU180 3.7 41.4 1.0 N F:ALA179 3.8 43.2 1.0 OD1 F:ASP181 3.8 45.2 1.0 CG F:GLU180 3.9 54.8 1.0 C F:THR178 4.0 53.7 1.0 CA F:THR178 4.1 56.0 1.0 C F:GLU180 4.1 40.5 1.0 C F:LYS177 4.2 57.0 1.0 C F:ALA179 4.2 38.1 1.0 N F:THR178 4.3 51.3 1.0 CG F:ASP181 4.4 46.5 1.0 CA F:ALA179 4.5 45.9 1.0 CB F:ASP181 4.6 41.4 1.0 O F:THR178 4.6 47.6 1.0 CA F:ASP181 4.7 40.2 1.0

Chlorine binding site 7 out of 17 in the Tarp-6RBOP-(CH2)6NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Tarp-6RBOP-(CH2)6NH2 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl403 b:40.5 occ:1.00 ND2 E:ASN245 2.9 29.5 0.5 N E:ASN245 3.4 35.9 1.0 N E:LYS244 3.4 36.2 1.0 CA E:TYR243 3.5 35.7 1.0 CG E:ASN245 3.5 31.6 0.5 CB E:ASN245 3.6 36.9 0.5 CB E:ASN245 3.6 32.2 0.5 C E:TYR243 3.7 35.4 1.0 CB E:LYS248 3.8 35.0 1.0 CG E:LYS248 3.8 33.9 1.0 CA E:ASN245 4.1 37.9 0.5 CA E:ASN245 4.1 35.2 0.5 O E:ILE242 4.1 40.3 1.0 CB E:TYR243 4.2 38.0 1.0 C E:LYS244 4.4 35.7 1.0 OD1 E:ASN245 4.4 34.5 0.5 CA E:LYS244 4.5 36.9 1.0 CD1 E:TYR243 4.5 35.9 1.0 O E:ASN245 4.6 34.0 1.0 N E:TYR243 4.6 41.0 1.0 O E:TYR243 4.6 33.6 1.0 C E:ILE242 4.8 42.8 1.0 CG E:TYR243 4.8 40.6 1.0 CG E:ASN245 4.8 38.8 0.5 C E:ASN245 4.9 35.7 1.0 CD E:LYS248 5.0 32.7 1.0

Chlorine binding site 8 out of 17 in the Tarp-6RBOP-(CH2)6NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Tarp-6RBOP-(CH2)6NH2 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl404 b:61.9 occ:1.00 OAD E:FQ8401 2.9 78.3 1.0 NH2 E:ARG259 2.9 90.9 1.0 OH E:TYR226 3.1 45.7 1.0 NE2 E:GLN182 3.2 46.2 1.0 CA E:GLY264 3.8 47.8 1.0 CE1 E:TYR226 3.9 53.0 1.0 N E:GLN265 3.9 54.5 1.0 CZ E:TYR226 4.0 47.8 1.0 CBC E:FQ8401 4.0 0.2 1.0 CAR E:FQ8401 4.0 0.6 1.0 CZ E:ARG259 4.1 69.0 1.0 CD E:GLN182 4.1 49.6 1.0 O E:HIS263 4.3 48.6 1.0 OE1 E:GLN182 4.3 57.2 1.0 C E:GLY264 4.3 54.1 1.0 OAE E:FQ8401 4.4 99.4 1.0 NE E:ARG259 4.5 60.9 1.0 N E:GLY264 4.7 46.2 1.0 C E:HIS263 4.8 43.0 1.0 NE2 E:GLN265 4.9 89.2 1.0 CB E:GLN265 4.9 62.0 1.0 OH E:TYR256 4.9 56.0 1.0 CD1 E:LEU260 4.9 48.9 1.0 CA E:GLN265 4.9 56.7 1.0

Chlorine binding site 9 out of 17 in the Tarp-6RBOP-(CH2)6NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Tarp-6RBOP-(CH2)6NH2 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl402 b:65.0 occ:1.00 OH G:TYR226 2.7 52.5 1.0 O G:HOH516 2.9 40.4 1.0 OAD G:FQ8401 3.1 78.6 1.0 NE2 G:GLN182 3.3 44.1 1.0 CE1 G:TYR226 3.4 44.2 1.0 CZ G:TYR226 3.5 43.7 1.0 N G:GLN265 3.6 39.6 1.0 CA G:GLY264 3.8 36.6 1.0 CBC G:FQ8401 4.1 0.4 1.0 CAR G:FQ8401 4.1 0.9 1.0 C G:GLY264 4.1 40.2 1.0 CD G:GLN182 4.3 42.2 1.0 CB G:ALA179 4.5 44.1 1.0 CB G:GLN265 4.5 51.5 1.0 OE1 G:GLN182 4.5 46.0 1.0 O G:HIS263 4.6 42.0 1.0 CA G:GLN265 4.6 45.2 1.0 CD1 G:LEU260 4.7 35.9 1.0 OAE G:FQ8401 4.7 0.5 1.0 NH1 G:ARG259 4.7 66.2 1.0 CD1 G:TYR226 4.8 43.6 1.0 CD1 G:ILE230 4.8 47.9 1.0 N G:GLY264 4.8 37.3 1.0 CE2 G:TYR226 4.9 40.2 1.0 OH G:TYR256 4.9 41.5 1.0 OG1 G:THR178 4.9 79.2 1.0

Chlorine binding site 10 out of 17 in the Tarp-6RBOP-(CH2)6NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Tarp-6RBOP-(CH2)6NH2 within 5.0Å range: probe atom residue distance (Å) B Occ Q:Cl402 b:71.0 occ:1.00 O Q:HOH505 3.3 37.3 1.0 N Q:LEU317 3.6 50.5 1.0 CB Q:LEU317 4.0 46.2 1.0 O Q:ASN315 4.3 46.9 1.0 CA Q:ASP316 4.3 51.9 1.0 CD1 Q:ILE280 4.4 46.4 1.0 CA Q:LEU317 4.4 47.8 1.0 C Q:ASP316 4.4 45.0 1.0 OD1 Q:ASP316 4.7 61.9 1.0 N Q:LEU318 4.8 40.1 1.0 OE1 G:GLN314 4.8 52.4 1.0 OH Q:TYR276 5.0 49.8 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