Bromine in PDB 2rc3: Crystal Structure of Cbs Domain, NE2398

The structure of Crystal Structure of Cbs Domain, NE2398, PDB code: 2rc3 was solved by A.Dong, X.Xu, Y.Korniyenko, A.Yakunin, H.Zheng, J.R.Walker, A.M.Edwards, A.Joachimiak, A.Savchenko, Midwest Center For Structural Genomics(Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.195, 95.641, 99.759, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 39;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of Cbs Domain, NE2398 (pdb code 2rc3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 39 binding sites of Bromine where determined in the Crystal Structure of Cbs Domain, NE2398, PDB code: 2rc3:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 39 in the Crystal Structure of Cbs Domain, NE2398


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Cbs Domain, NE2398 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br171 b:9.9 occ:0.50 O D:HOH1017 3.1 17.2 1.0 BR A:BR174 3.1 31.8 0.5 NH1 A:ARG124 3.4 12.1 1.0 CD A:ARG124 3.5 14.5 1.0 CB A:THR74 3.6 9.4 1.0 N A:ARG76 3.7 9.3 1.0 CE1 A:HIS125 3.8 7.3 1.0 CB A:ARG76 3.9 9.5 1.0 N A:GLU75 4.0 8.9 1.0 OG1 A:THR74 4.0 10.2 1.0 ND1 A:HIS125 4.1 7.4 1.0 O A:HOH1001 4.2 10.6 1.0 CB A:GLU75 4.3 9.1 1.0 CZ A:ARG124 4.3 13.6 1.0 CB A:ARG124 4.3 9.0 1.0 CG2 A:THR74 4.3 10.3 1.0 NE A:ARG124 4.4 17.4 1.0 O A:GLY59 4.4 8.7 1.0 CA A:ARG76 4.4 9.1 1.0 CG A:ARG124 4.4 10.2 1.0 CA A:GLU75 4.5 8.1 1.0 C A:GLU75 4.5 8.9 1.0 C A:THR74 4.7 9.2 1.0 CA A:THR74 4.7 9.2 1.0 NH2 D:ARG124 4.7 17.1 1.0 O A:HOH1056 4.8 27.6 1.0

Bromine binding site 2 out of 39 in the Crystal Structure of Cbs Domain, NE2398


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Cbs Domain, NE2398 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br172 b:24.9 occ:0.50 O A:HOH1049 3.5 26.7 1.0 CB A:PRO42 3.7 15.2 1.0 NH1 A:ARG100 3.9 28.3 1.0 NH2 A:ARG100 3.9 26.8 1.0 CG A:PRO42 4.0 15.3 1.0 CE A:MET98 4.2 13.9 1.0 CG2 A:VAL70 4.2 15.7 1.0 CB A:VAL70 4.4 16.1 1.0 CZ A:ARG100 4.4 25.7 1.0 CD A:LYS65 4.4 25.1 1.0 NZ A:LYS65 4.4 31.1 1.0 CE A:LYS65 4.5 28.8 1.0 CB A:LYS95 4.5 13.5 1.0 CD A:LYS95 4.6 18.2 1.0 CG1 A:VAL70 4.6 16.6 1.0

Bromine binding site 3 out of 39 in the Crystal Structure of Cbs Domain, NE2398


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Cbs Domain, NE2398 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br173 b:29.2 occ:0.50 O A:HOH1125 3.1 36.7 1.0 O A:HOH1155 3.2 56.1 1.0 N A:ALA39 3.3 13.6 1.0 NZ A:LYS52 3.5 22.3 1.0 O A:VAL37 3.8 17.3 1.0 O A:ALA39 3.8 14.7 1.0 CA A:VAL38 3.9 14.4 1.0 CE A:LYS52 4.0 20.6 1.0 C A:VAL38 4.1 14.1 1.0 CG1 A:VAL38 4.2 14.1 1.0 CA A:ALA39 4.2 14.0 1.0 O A:HOH1134 4.3 38.2 1.0 CB A:ALA39 4.3 13.9 1.0 C A:ALA39 4.4 13.9 1.0 CB A:VAL38 4.6 14.3 1.0 C A:VAL37 4.7 17.0 1.0 N A:VAL38 4.8 15.4 1.0 O A:HOH1123 4.9 38.4 1.0

Bromine binding site 4 out of 39 in the Crystal Structure of Cbs Domain, NE2398


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Cbs Domain, NE2398 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br174 b:31.8 occ:0.50 O A:HOH1001 2.9 10.6 1.0 O A:HOH1056 3.0 27.6 1.0 O A:HOH1144 3.1 44.0 1.0 BR A:BR171 3.1 9.9 0.5 N A:ARG124 3.3 8.7 1.0 CB A:ARG124 3.9 9.0 1.0 CG A:ARG124 3.9 10.2 1.0 CA A:VAL123 4.0 10.7 1.0 CD A:ARG124 4.0 14.5 1.0 C A:VAL123 4.1 9.7 1.0 CA A:ARG124 4.2 8.0 1.0 CB A:ARG76 4.3 9.5 1.0 O A:ARG122 4.5 12.8 1.0 CB A:VAL123 4.6 11.5 1.0 CD A:ARG76 4.6 13.1 1.0 OG1 A:THR74 4.6 10.2 1.0 ND1 A:HIS125 4.7 7.4 1.0 CG2 A:THR74 4.7 10.3 1.0 CB A:THR74 4.8 9.4 1.0 NH1 A:ARG124 4.8 12.1 1.0 CG1 A:VAL123 4.9 13.1 1.0 NE A:ARG124 4.9 17.4 1.0 O A:HOH1059 4.9 28.2 1.0 O A:HOH1055 5.0 26.8 1.0 CG A:ARG76 5.0 10.4 1.0 O A:HOH1036 5.0 24.4 1.0

Bromine binding site 5 out of 39 in the Crystal Structure of Cbs Domain, NE2398


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Cbs Domain, NE2398 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br175 b:32.4 occ:0.50 O A:HOH1106 2.9 37.2 1.0 N A:ASP43 3.4 16.4 1.0 CB A:ASP43 3.6 18.0 1.0 CD A:PRO42 3.6 15.2 1.0 CA A:GLY41 3.7 14.2 1.0 N A:PRO42 3.7 15.1 1.0 C A:GLY41 3.8 14.8 1.0 O A:HOH1133 3.9 36.8 1.0 CG A:ASP43 3.9 20.7 1.0 CA A:ASP43 4.0 17.6 1.0 OD2 A:ASP43 4.0 24.1 1.0 CG A:PRO42 4.0 15.3 1.0 O A:HOH1131 4.4 39.4 1.0 N A:ASP44 4.4 17.2 1.0 C A:PRO42 4.4 15.7 1.0 C A:ASP43 4.5 17.3 1.0 O A:GLY41 4.6 15.2 1.0 CA A:PRO42 4.6 15.2 1.0 OD1 A:ASP43 4.7 23.5 1.0 N A:GLY41 4.9 14.0 1.0 CB A:PRO42 5.0 15.2 1.0

Bromine binding site 6 out of 39 in the Crystal Structure of Cbs Domain, NE2398


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Cbs Domain, NE2398 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br176 b:34.9 occ:0.50 OG A:SER45 3.1 14.7 1.0 O A:HOH1105 3.2 37.7 1.0 CB A:SER45 3.7 14.2 1.0 ND2 A:ASN48 3.9 17.7 1.0 CG A:LYS90 4.0 22.1 1.0 OD1 A:ASN48 4.1 18.6 1.0 CD2 A:PHE47 4.1 15.3 1.0 CG A:ASN48 4.1 14.5 1.0 CB A:LYS90 4.2 21.3 1.0 O A:LYS90 4.3 21.0 1.0 CB A:PHE47 4.3 12.6 1.0 CA A:LYS90 4.3 21.0 1.0 CG A:PHE47 4.6 14.0 1.0 CD A:LYS90 4.7 25.6 1.0 O A:HOH1136 4.7 42.0 1.0 C A:LYS90 4.8 20.9 1.0 N A:ASN48 4.9 11.9 1.0

Bromine binding site 7 out of 39 in the Crystal Structure of Cbs Domain, NE2398


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Cbs Domain, NE2398 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br177 b:37.5 occ:0.50 O A:HOH1038 2.6 24.0 1.0 O B:HOH1095 3.1 32.8 1.0 N A:ARG100 3.2 15.0 1.0 N A:GLN101 3.4 15.4 1.0 O A:HOH1074 3.4 30.0 1.0 CA B:GLY132 3.4 25.0 1.0 CG2 A:THR99 3.8 15.3 1.0 CB A:GLN101 4.0 17.0 1.0 CA A:THR99 4.0 13.7 1.0 CA A:ARG100 4.0 15.8 1.0 C A:THR99 4.0 14.0 1.0 C A:ARG100 4.2 15.6 1.0 N B:GLY132 4.2 26.0 1.0 CA A:GLN101 4.2 16.2 1.0 CB A:ARG100 4.2 15.7 1.0 O A:HOH1070 4.4 28.6 1.0 CB A:THR99 4.4 14.2 1.0 C B:GLY132 4.6 24.3 1.0 OH B:TYR104 4.6 17.8 1.0 O A:GLN101 4.7 15.7 1.0 O B:GLY132 4.7 25.1 1.0 CD2 B:LEU129 4.7 20.0 1.0 C A:GLN101 4.9 15.6 1.0 OG1 A:THR99 4.9 16.5 1.0 O B:HOH1107 4.9 34.2 1.0

Bromine binding site 8 out of 39 in the Crystal Structure of Cbs Domain, NE2398


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of Cbs Domain, NE2398 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br178 b:40.0 occ:0.50 N A:HIS35 3.3 21.4 1.0 O A:HOH1088 3.4 32.6 1.0 CA A:GLY34 3.7 21.8 1.0 O A:HOH1064 3.9 29.0 1.0 C A:GLY34 4.0 21.6 1.0 CA A:HIS35 4.2 21.6 1.0 CB A:HIS35 4.3 22.1 1.0 O A:HOH1127 4.5 40.6 1.0 ND1 A:HIS35 4.5 26.3 1.0 N A:THR36 4.6 20.6 1.0 C A:HIS35 4.7 21.2 1.0 OG1 A:THR36 4.9 22.3 1.0 CG A:HIS35 4.9 23.8 1.0

Bromine binding site 9 out of 39 in the Crystal Structure of Cbs Domain, NE2398


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of Cbs Domain, NE2398 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br171 b:9.1 occ:0.50 O C:HOH1001 3.0 14.7 1.0 O B:HOH1016 3.2 16.5 1.0 NH1 B:ARG124 3.5 13.5 1.0 CD B:ARG124 3.6 15.5 1.0 N B:ARG76 3.6 9.2 1.0 CE1 B:HIS125 3.7 6.6 1.0 CB B:THR74 3.7 7.5 1.0 CB B:ARG76 3.9 9.2 1.0 N B:GLU75 4.0 7.6 1.0 ND1 B:HIS125 4.1 7.5 1.0 OG1 B:THR74 4.1 8.7 1.0 O B:HOH1003 4.2 9.5 1.0 CB B:GLU75 4.3 8.8 1.0 O B:GLY59 4.3 7.3 1.0 CB B:ARG124 4.3 8.9 1.0 CA B:ARG76 4.4 9.3 1.0 CZ B:ARG124 4.4 14.7 1.0 CA B:GLU75 4.5 8.7 1.0 NE B:ARG124 4.5 19.0 1.0 CG B:ARG124 4.5 10.9 1.0 C B:GLU75 4.5 8.7 1.0 CG2 B:THR74 4.6 9.1 1.0 O B:HOH1045 4.6 25.5 1.0 C B:THR74 4.6 7.4 1.0 CA B:THR74 4.7 7.7 1.0 NH1 C:ARG124 4.7 12.0 1.0 NE2 B:HIS125 4.9 8.2 1.0

Bromine binding site 10 out of 39 in the Crystal Structure of Cbs Domain, NE2398


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of Cbs Domain, NE2398 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br172 b:20.6 occ:0.50 O B:HOH1108 3.3 32.2 1.0 O B:HOH1161 3.3 45.9 1.0 N B:ARG100 3.3 12.1 1.0 O A:HOH1068 3.4 30.1 1.0 N B:GLN101 3.6 13.8 1.0 CG2 B:THR99 3.9 14.5 1.0 CB B:GLN101 4.0 15.1 1.0 CA B:THR99 4.0 12.7 1.0 C B:THR99 4.2 12.3 1.0 CA B:ARG100 4.2 13.3 1.0 CB B:ARG100 4.3 13.5 1.0 C B:ARG100 4.4 13.4 1.0 CA B:GLN101 4.4 14.8 1.0 CB B:THR99 4.5 12.9 1.0 O B:HOH1110 4.7 36.6 1.0 OE1 B:GLN101 4.8 23.5 1.0 OG1 B:THR99 4.8 14.3 1.0 OH A:TYR104 4.9 15.5 1.0 O B:MET98 5.0 12.2 1.0

A.Dong, X.Xu, A.Korniyenko, A.Yakunin, H.Zheng, J.R.Walker, A.M.Edwards, A.Joachimiak, A.Savchenko. Crystal Structure of Cbs Domain, NE2398. To Be Published.