Bromine in PDB 6gjt: Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form

The structure of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form, PDB code: 6gjt was solved by J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.62 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.410, 108.250, 207.000, 90.00, 90.00, 90.00
R / Rfree (%)	27.3 / 29.2

The structure of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form also contains other interesting chemical elements:

Potassium

(K)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Bromine atom in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form (pdb code 6gjt). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 28 binding sites of Bromine where determined in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form, PDB code: 6gjt:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 28 in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:32.7 occ:1.00 ND2 C:ASN203 3.3 24.3 1.0 ND2 A:ASN203 3.3 17.0 1.0 ND2 B:ASN203 3.4 22.7 1.0 O A:HOH419 3.5 20.4 1.0 O C:HOH403 3.8 16.4 1.0 O B:HOH419 3.9 16.6 1.0 CG C:ASN203 4.2 20.4 1.0 OD1 C:ASN203 4.3 27.5 1.0 CG A:ASN203 4.3 20.0 1.0 CG B:ASN203 4.4 20.8 1.0 OD1 B:ASN203 4.5 21.7 1.0 OD1 A:ASN203 4.5 22.7 1.0 CB A:TYR197 4.7 19.8 1.0 CD2 A:TYR197 4.8 21.4 1.0 CB B:TYR197 4.9 16.8 1.0 CB C:TYR197 4.9 20.6 1.0 CD2 C:TYR197 4.9 26.9 1.0 CD2 B:TYR197 4.9 20.8 1.0

Bromine binding site 2 out of 28 in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:65.3 occ:1.00 N A:ASN122 3.3 26.0 1.0 CE C:MET162 3.5 39.6 1.0 SD C:MET162 3.7 43.1 1.0 O A:ASN122 3.9 32.0 1.0 CB C:PRO260 4.0 42.3 1.0 CA A:ASN121 4.0 32.4 1.0 CB A:ASN122 4.0 30.3 1.0 C A:ASN121 4.1 32.4 1.0 CA A:ASN122 4.1 27.4 1.0 CE2 A:PHE120 4.1 25.4 1.0 CD2 A:PHE120 4.3 29.2 1.0 C A:ASN122 4.5 29.0 1.0 O A:PHE120 4.5 35.1 1.0 NH1 C:ARG210 4.9 61.0 1.0 OD1 A:ASN121 4.9 47.4 1.0 CA C:PRO260 4.9 41.8 1.0 N A:ASN121 4.9 33.7 1.0

Bromine binding site 3 out of 28 in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:90.4 occ:1.00 NH1 A:ARG138 3.3 89.2 1.0 CD A:PRO137 3.6 24.2 1.0 CB A:THR136 3.7 30.2 1.0 CD A:ARG138 3.7 74.9 1.0 OG1 A:THR136 3.8 28.4 1.0 CG A:ARG138 3.9 61.6 1.0 CB A:ARG138 4.0 48.6 1.0 N A:ARG138 4.0 36.4 1.0 CZ A:ARG138 4.1 90.8 1.0 N A:PRO137 4.1 26.2 1.0 NE A:ARG138 4.2 90.8 1.0 CG A:PRO137 4.3 26.3 1.0 CG2 A:THR136 4.4 33.3 1.0 O A:HOH415 4.6 35.9 1.0 CB A:PRO137 4.6 26.9 1.0 CA A:ARG138 4.6 39.4 1.0 C A:THR136 4.8 24.5 1.0 CA A:THR136 4.8 26.7 1.0 CA A:PRO137 4.8 28.7 1.0 C A:PRO137 4.9 28.8 1.0

Bromine binding site 4 out of 28 in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:42.0 occ:1.00 OE2 B:GLU229 3.0 48.2 1.0 N C:LEU245 3.3 21.8 1.0 CA C:LEU245 3.9 23.6 1.0 CD B:GLU229 3.9 51.4 1.0 CD2 C:LEU238 4.0 18.7 1.0 CG B:GLU229 4.0 42.4 1.0 CD2 C:LEU245 4.1 21.9 1.0 CD1 C:LEU238 4.2 18.8 1.0 CD1 B:LEU228 4.2 27.6 1.0 CG C:LEU245 4.2 24.8 1.0 C C:ILE244 4.4 23.4 1.0 CA C:ILE244 4.5 21.7 1.0 CG2 C:ILE244 4.6 24.6 1.0 CB C:LEU245 4.6 25.3 1.0 CG C:LEU238 4.7 17.2 1.0 CG B:LEU228 4.7 27.9 1.0 O C:ASP243 4.9 29.0 1.0 CD2 B:LEU228 5.0 29.0 1.0

Bromine binding site 5 out of 28 in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Br302 b:57.9 occ:1.00 N B:ASN122 3.2 24.3 1.0 CA B:ASN121 3.7 26.3 1.0 CE A:MET162 3.7 38.7 1.0 CB A:PRO260 3.8 31.0 1.0 O B:ASN122 3.9 33.7 1.0 C B:ASN121 3.9 27.4 1.0 SD A:MET162 4.0 37.6 1.0 CA B:ASN122 4.1 28.7 1.0 CB B:ASN122 4.2 25.8 1.0 O B:PHE120 4.3 27.6 1.0 CE2 B:PHE120 4.3 24.5 1.0 CD2 B:PHE120 4.3 27.5 1.0 C B:ASN122 4.5 26.5 1.0 N B:ASN121 4.6 26.4 1.0 CA A:PRO260 4.7 32.4 1.0 CB B:ASN121 4.7 30.1 1.0 ND2 B:ASN121 4.8 40.4 1.0 C B:PHE120 4.8 28.9 1.0 CG A:PRO260 5.0 33.2 1.0

Bromine binding site 6 out of 28 in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Br303 b:72.6 occ:1.00 N B:ASP243 3.2 20.3 1.0 NZ B:LYS128 3.6 28.4 1.0 CG B:ASP243 3.6 37.5 1.0 CA B:ASN242 3.7 19.2 1.0 OD1 B:ASP243 3.8 42.2 1.0 OD2 B:ASP243 3.9 42.3 1.0 CB B:ASP243 3.9 29.9 1.0 C B:ASN242 4.0 19.8 1.0 CB B:ASN242 4.0 24.3 1.0 OD1 B:ASN242 4.1 35.2 1.0 CA B:ASP243 4.2 28.2 1.0 CG B:ASN242 4.3 29.9 1.0 O B:GLY241 4.9 19.9 1.0 N B:ASN242 5.0 22.2 1.0

Bromine binding site 7 out of 28 in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Br304 b:69.8 occ:1.00 N B:SER188 3.2 31.6 1.0 CB B:ASP187 3.6 31.1 1.0 CA B:ASP187 3.7 32.6 1.0 OG B:SER188 3.8 34.0 1.0 C B:ASP187 3.9 29.3 1.0 CG B:ASP187 4.0 36.2 1.0 OD1 B:ASP187 4.1 42.4 1.0 N B:LYS189 4.1 31.5 1.0 CA B:SER188 4.2 33.7 1.0 CG B:LYS189 4.2 35.7 1.0 CB B:SER188 4.4 33.1 1.0 C B:SER188 4.5 26.7 1.0 CE B:LYS189 4.6 57.0 1.0 CD B:LYS189 4.6 51.4 1.0 OD2 B:ASP187 4.7 37.6 1.0 O B:HOH406 4.9 51.1 1.0 O B:LYS189 4.9 26.1 1.0

Bromine binding site 8 out of 28 in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Br305 b:64.9 occ:1.00 CB B:SER222 3.4 31.6 1.0 N B:GLU185 3.6 28.2 1.0 CA B:GLU185 3.7 31.9 1.0 CB B:GLU185 3.8 40.1 1.0 N B:SER222 3.9 27.1 1.0 O B:VAL183 4.0 29.9 1.0 C B:TYR221 4.0 31.1 1.0 O B:THR220 4.1 29.6 1.0 CA B:TYR221 4.2 28.7 1.0 CG2 B:THR220 4.3 32.1 1.0 C B:ARG184 4.3 27.0 1.0 CA B:SER222 4.4 26.0 1.0 OG B:SER222 4.4 36.5 1.0 O B:TYR221 4.5 27.3 1.0 C B:THR220 4.5 30.9 1.0 N B:TYR221 4.5 28.8 1.0 CG B:GLU185 4.5 44.7 1.0 NZ B:LYS151 4.5 58.2 1.0 CG1 B:VAL183 4.6 36.0 1.0 C B:VAL183 4.6 28.7 1.0 CG B:LYS151 4.9 47.0 1.0 CB B:VAL183 4.9 31.7 1.0 CA B:ARG184 4.9 26.3 1.0 O B:ARG184 4.9 30.7 1.0 NH2 B:ARG224 5.0 49.5 1.0

Bromine binding site 9 out of 28 in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Br306 b:77.1 occ:1.00 CD B:PRO137 3.4 25.2 1.0 N B:ARG138 3.5 24.0 1.0 CG B:ARG138 3.5 27.6 1.0 CD B:ARG138 3.6 33.3 1.0 CB B:ARG138 3.6 26.3 1.0 CB B:THR136 3.7 21.7 1.0 OG1 B:THR136 3.7 22.0 1.0 NE B:ARG138 3.9 34.6 1.0 N B:PRO137 4.0 22.2 1.0 CG B:PRO137 4.1 29.4 1.0 CA B:ARG138 4.2 25.8 1.0 CB B:PRO137 4.2 24.7 1.0 C B:PRO137 4.4 24.3 1.0 CA B:PRO137 4.4 23.3 1.0 CG2 B:THR136 4.6 20.6 1.0 C B:THR136 4.6 22.9 1.0 CA B:THR136 4.7 20.9 1.0

Bromine binding site 10 out of 28 in the Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Br301 b:64.7 occ:1.00 NZ C:LYS118 3.2 73.3 1.0 CE C:LYS118 3.5 61.9 1.0 CD C:LYS118 3.6 59.0 1.0 CB A:LYS118 3.7 37.5 1.0 CD A:LYS118 3.9 43.3 1.0 CD1 A:LEU256 4.3 25.5 1.0 CG A:LYS118 4.4 38.6 1.0 O A:LYS118 4.6 36.4 1.0 O C:GLU257 4.7 24.9 1.0 CG C:LYS118 4.7 52.5 1.0 CG1 C:VAL258 4.8 32.0 1.0 CA C:VAL258 4.8 27.3 1.0 CA A:LYS118 4.9 36.9 1.0

S.Khurshid, L.Govada, G.Wills, M.O.Mcclure, J.R.Helliwell, N.E.Chayen. Chlamydia Protein PGP3 Studied at High Resolution in A New Crystal Form. Iucrj V. 5 439 2018.
ISSN: ESSN 2052-2525
PubMed: 30002845
DOI: 10.1107/S2052252518007637