Bromine in PDB 8ted: Porx Primitive Orthorhombic Crystal Form

The structure of Porx Primitive Orthorhombic Crystal Form, PDB code: 8ted was solved by A.Saran, N.Zeytuni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.40 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.696, 97.849, 133.2, 90, 90, 90
R / Rfree (%)	17.9 / 22.6

The structure of Porx Primitive Orthorhombic Crystal Form also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Bromine atom in the Porx Primitive Orthorhombic Crystal Form (pdb code 8ted). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 23 binding sites of Bromine where determined in the Porx Primitive Orthorhombic Crystal Form, PDB code: 8ted:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 23 in the Porx Primitive Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Porx Primitive Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:31.4 occ:0.70 O B:HOH1005 3.6 35.7 1.0 N A:ALA334 3.6 29.9 1.0 CB A:TYR333 3.7 26.3 1.0 CG B:GLU370 4.0 32.6 1.0 CB A:ALA334 4.0 30.6 1.0 N A:TYR333 4.0 26.0 1.0 CA B:GLU370 4.2 27.0 1.0 CA A:TYR333 4.2 25.2 1.0 CD2 A:TYR333 4.3 30.8 1.0 O B:HOH993 4.3 50.2 1.0 CB B:GLU370 4.4 29.7 1.0 CB A:ASN332 4.4 29.4 1.0 C A:TYR333 4.4 29.0 1.0 CA A:ALA334 4.4 28.5 1.0 CG A:TYR333 4.5 26.6 1.0 CD B:LYS373 4.5 33.8 1.0 OE2 B:GLU370 4.7 32.7 1.0 CG A:ASN332 4.7 31.0 1.0 CD B:GLU370 4.7 32.8 1.0 CB B:LYS373 4.8 25.3 1.0 OD1 A:ASN332 4.9 34.7 1.0 C A:ASN332 4.9 26.2 1.0 O B:GLU370 5.0 25.2 1.0

Bromine binding site 2 out of 23 in the Porx Primitive Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Porx Primitive Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br602 b:46.6 occ:1.00 NE2 A:HIS19 3.3 36.7 1.0 N A:VAL106 3.4 33.4 1.0 CG A:LYS104 3.6 32.6 1.0 CA A:PRO105 3.8 36.3 1.0 CD2 A:HIS19 3.9 36.7 1.0 CB A:LYS104 4.1 33.8 1.0 CD A:LYS104 4.1 34.0 1.0 C A:PRO105 4.1 35.7 1.0 CG2 A:VAL106 4.3 38.6 1.0 CD2 A:LEU16 4.3 49.3 1.0 O A:VAL106 4.3 35.6 1.0 CA A:VAL106 4.4 35.3 1.0 CA A:LYS104 4.4 32.8 1.0 CB A:VAL106 4.5 34.6 1.0 CE1 A:HIS19 4.5 38.2 1.0 CE A:LYS104 4.5 34.5 1.0 CB A:PRO105 4.5 33.7 1.0 C A:VAL106 4.9 32.1 1.0 N A:PRO105 4.9 33.0 1.0

Bromine binding site 3 out of 23 in the Porx Primitive Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Porx Primitive Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br603 b:37.1 occ:0.70 O A:HOH754 2.9 32.7 1.0 CA A:LEU339 4.0 25.4 1.0 CE1 A:PHE328 4.1 28.4 1.0 N A:LEU339 4.1 27.4 1.0 CB A:LEU339 4.1 25.4 1.0 CD1 A:LEU339 4.2 26.0 1.0 CE A:LYS338 4.3 53.1 1.0 CD1 A:PHE328 4.3 26.7 1.0 C A:LYS338 4.4 27.4 1.0 CG A:LYS338 4.6 44.0 1.0 O A:LYS338 4.7 24.6 1.0 NZ A:LYS338 4.7 63.1 1.0 CB A:LYS338 4.7 38.0 1.0 CG A:LEU339 4.8 27.0 1.0 CD A:LYS338 5.0 46.6 1.0

Bromine binding site 4 out of 23 in the Porx Primitive Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Porx Primitive Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br604 b:34.3 occ:0.80 O A:HOH942 3.0 39.8 1.0 O A:HOH818 3.3 31.5 1.0 N A:MET60 3.3 31.9 1.0 N A:LEU37 3.5 28.6 1.0 CB A:LEU37 3.8 32.3 1.0 N A:GLY36 3.9 28.2 1.0 CA A:GLY59 3.9 34.0 1.0 OD1 A:ASN35 3.9 30.7 1.0 CG A:MET60 4.0 36.7 1.0 CB A:MET60 4.0 36.2 1.0 CB A:ASN35 4.0 29.3 1.0 C A:GLY59 4.1 33.1 1.0 CA A:MET60 4.3 31.0 1.0 CA A:LEU37 4.3 27.1 1.0 CA A:GLY36 4.3 26.3 1.0 O A:HOH733 4.3 37.5 1.0 C A:GLY36 4.4 25.7 1.0 CG A:ASN35 4.4 28.4 1.0 SD A:MET60 4.5 37.3 1.0 C A:ASN35 4.5 28.4 1.0 CA A:ASN35 4.7 29.7 1.0 N A:GLY59 4.8 36.3 1.0 O A:MET60 4.8 23.6 1.0

Bromine binding site 5 out of 23 in the Porx Primitive Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Porx Primitive Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br605 b:42.1 occ:0.80 OG A:SER141 3.0 40.0 1.0 O A:HOH713 3.5 34.8 1.0 CG A:GLU185 3.8 37.5 1.0 CB A:SER141 3.8 38.2 1.0 CD2 A:LEU144 3.9 46.6 1.0 CB A:GLU185 4.0 34.8 1.0 CG A:GLN182 4.0 31.9 1.0 CA A:SER141 4.1 38.2 1.0 CA A:GLN182 4.2 29.8 1.0 NE2 A:GLN182 4.4 31.8 1.0 CB A:GLN182 4.5 30.1 1.0 CD A:GLN182 4.8 33.6 1.0 O A:GLN182 4.9 25.9 1.0 CG A:LEU144 4.9 44.5 1.0 O A:SER181 5.0 24.4 1.0 N A:GLN182 5.0 27.0 1.0

Bromine binding site 6 out of 23 in the Porx Primitive Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Porx Primitive Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br606 b:51.6 occ:1.00 O A:HOH896 2.9 43.1 1.0 O A:HOH994 3.5 44.7 1.0 CG A:ASN214 3.5 29.5 1.0 OD1 A:ASN214 3.6 35.0 1.0 NZ A:LYS208 3.7 37.2 1.0 CB A:ASN214 3.8 29.1 1.0 CE A:LYS208 3.8 37.0 1.0 ND2 A:ASN214 4.0 28.2 1.0 CA A:ILE210 4.0 25.6 1.0 CG1 A:ILE210 4.1 25.8 1.0 CG A:GLU218 4.2 42.8 1.0 O A:PRO209 4.3 28.9 1.0 N A:ILE210 4.4 25.1 1.0 CB A:ILE210 4.6 24.6 1.0 C A:PRO209 4.6 28.1 1.0 CD A:GLU218 4.7 45.0 1.0 CG A:LYS208 4.7 34.1 1.0 CD A:LYS208 4.9 34.5 1.0 O A:LYS208 5.0 32.7 1.0 N A:GLN211 5.0 23.6 1.0

Bromine binding site 7 out of 23 in the Porx Primitive Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Porx Primitive Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br607 b:60.2 occ:1.00 CE A:LYS227 3.5 57.5 1.0 N A:ASN322 3.6 43.2 1.0 NZ A:LYS227 3.7 58.1 1.0 CD2 A:LEU321 3.9 45.0 1.0 CA A:LEU321 4.0 41.1 1.0 CB A:LEU321 4.2 43.1 1.0 O A:ASN322 4.3 46.5 1.0 C A:LEU321 4.3 41.6 1.0 CG2 A:ILE224 4.4 33.1 1.0 CG2 A:ILE323 4.4 42.6 1.0 CA A:ASN322 4.5 44.7 1.0 C A:ASN322 4.5 44.1 1.0 CG A:LYS225 4.6 46.2 1.0 CG A:LEU321 4.7 44.7 1.0 CB A:ASN322 4.7 47.2 1.0 O A:HOH813 4.7 49.2 1.0 NZ A:LYS225 4.9 54.5 1.0 CD A:LYS227 5.0 57.0 1.0

Bromine binding site 8 out of 23 in the Porx Primitive Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Porx Primitive Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br608 b:86.7 occ:1.00 C A:MET57 3.5 34.9 1.0 N A:MET57 3.5 33.4 1.0 CA A:MET57 3.6 34.5 1.0 N A:PRO58 3.7 36.2 1.0 C A:ASN56 3.7 35.6 1.0 O A:MET57 3.8 34.0 1.0 O A:ASN56 3.9 36.9 1.0 CB A:ASN56 4.1 41.8 1.0 CD A:PRO58 4.1 38.5 1.0 CA A:PRO58 4.2 38.3 1.0 CA A:ASN56 4.4 38.0 1.0 O A:HOH912 4.4 31.9 1.0 CG A:PRO58 4.7 41.3 1.0 CA A:CA614 4.9 36.9 1.0 O A:HOH949 4.9 43.2 1.0

Bromine binding site 9 out of 23 in the Porx Primitive Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Porx Primitive Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br609 b:58.0 occ:1.00 NZ A:LYS329 3.2 44.4 1.0 N A:ASN305 3.4 25.5 1.0 O A:HOH938 3.4 7.8 1.0 C A:ASN305 3.6 28.7 1.0 O A:HOH748 3.7 38.0 1.0 CA A:GLY303 3.7 38.3 1.0 N A:LYS304 3.8 30.2 1.0 CA A:ASN305 3.8 28.3 1.0 N A:LEU306 3.9 31.0 1.0 O A:ASN305 3.9 29.4 1.0 CB A:ASN305 4.0 27.6 1.0 C A:GLY303 4.0 35.6 1.0 CD2 A:LEU306 4.1 39.9 1.0 O A:HOH795 4.3 34.6 1.0 CG A:LEU306 4.4 41.3 1.0 C A:LYS304 4.5 28.5 1.0 CA A:LEU306 4.5 34.0 1.0 CE A:LYS329 4.7 35.0 1.0 CA A:LYS304 4.8 31.3 1.0 O A:GLY303 4.9 36.2 1.0 ND2 A:ASN305 5.0 27.6 1.0

Bromine binding site 10 out of 23 in the Porx Primitive Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Porx Primitive Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br610 b:67.9 occ:1.00 CB A:ASN476 3.5 43.3 1.0 ND2 A:ASN476 3.5 42.4 1.0 OG A:SER188 3.6 38.8 1.0 CA A:SER188 3.8 31.6 1.0 CB A:SER188 3.8 34.3 1.0 CG A:ASN476 4.0 43.0 1.0 CE2 A:PHE478 4.2 63.7 1.0 CB A:LYS475 4.4 36.9 1.0 N A:ASN476 4.5 35.5 1.0 CA A:ASN476 4.5 41.5 1.0 O A:SER188 4.6 31.9 1.0 NZ A:LYS475 4.7 54.5 1.0 CE A:LYS475 4.7 51.8 1.0 N A:SER188 4.7 30.2 1.0 C A:SER188 4.8 32.4 1.0 CD2 A:PHE478 4.8 63.8 1.0 C A:LYS475 4.8 32.9 1.0 O A:LYS449 4.9 48.8 1.0

A.Saran, N.Zeytuni. Porx Primitive Orthorhombic Crystal Form To Be Published.