Bromine in PDB 4q7o: The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58

The structure of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58, PDB code: 4q7o was solved by K.Tan, L.Stols, W.Eschenfeldt, G.Babnigg, D.A.Low, C.S.Hayes, C.W.Goulding, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), Structure-Function Analysis Of Polymorphic Cdi Toxin-Immunityprotein Complexes (Uc4Cdi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.56 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.383, 53.532, 59.699, 90.00, 98.04, 90.00
R / Rfree (%)	14.9 / 18.9

Pages:

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

Binding sites:

The binding sites of Bromine atom in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 (pdb code 4q7o). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58, PDB code: 4q7o:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:19.1 occ:0.57 O A:HOH356 3.0 27.9 1.0 O A:HOH417 3.2 30.3 1.0 N A:PHE19 3.4 6.4 1.0 N A:VAL20 3.4 5.7 1.0 CG2 A:VAL20 3.6 7.7 1.0 O A:ASN17 3.9 12.6 1.0 C A:HIS18 4.0 6.3 1.0 CB A:VAL20 4.0 6.2 1.0 CB A:PHE19 4.0 7.6 1.0 CA A:PHE19 4.0 6.6 1.0 CA A:HIS18 4.1 7.5 1.0 C A:PHE19 4.2 5.8 1.0 CD2 A:PHE19 4.2 10.2 1.0 ND2 B:ASN4 4.3 22.2 1.0 CA A:VAL20 4.3 5.8 1.0 CD1 A:LEU97 4.4 11.9 1.0 CD2 A:LEU97 4.4 10.2 1.0 CB B:ASN4 4.5 22.2 1.0 CG A:PHE19 4.5 8.7 1.0 ND2 A:ASN73 4.6 19.9 1.0 CB A:LEU97 4.6 8.2 1.0 C A:ASN17 4.7 9.3 1.0 CG A:LEU97 4.7 9.1 1.0 OE2 A:GLU95 4.8 15.2 1.0 N A:HIS18 4.8 7.3 1.0 O A:HIS18 4.9 7.0 1.0 CG B:ASN4 4.9 21.4 1.0

Bromine binding site 2 out of 12 in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:27.8 occ:0.54 NZ A:LYS34 2.8 24.2 1.0 N A:LYS34 3.3 10.2 1.0 O A:HOH345 3.5 21.0 1.0 O A:HOH328 3.5 15.3 1.0 CA A:THR33 3.8 10.8 1.0 CE A:LYS34 3.9 21.9 1.0 CB A:THR33 3.9 11.9 1.0 CG A:LYS34 3.9 17.0 1.0 C A:THR33 4.1 10.4 1.0 CB A:LYS34 4.1 14.0 1.0 CA A:LYS34 4.3 12.1 1.0 CG2 A:THR33 4.4 13.6 1.0 CD A:LYS34 4.4 19.3 1.0 O A:HOH369 4.6 36.5 1.0 O A:HOH349 4.9 18.6 1.0

Bromine binding site 3 out of 12 in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:22.4 occ:0.55 NE1 A:TRP65 3.3 12.9 1.0 CE2 A:TRP65 4.1 11.9 1.0 CZ2 A:TRP65 4.3 12.8 1.0 CD1 A:TRP65 4.4 13.1 1.0 CA A:GLY67 4.6 16.0 1.0 OE2 A:GLU70 4.7 28.5 1.0

Bromine binding site 4 out of 12 in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:23.2 occ:0.50 CG A:GLU76 3.3 17.6 1.0 N A:GLY74 3.4 8.7 1.0 N A:GLU76 3.5 9.8 1.0 N A:PHE75 3.5 8.3 1.0 CA A:GLY74 3.8 8.6 1.0 C A:GLY74 3.8 8.1 1.0 CB A:GLU76 3.9 14.5 1.0 O A:HOH341 3.9 25.0 1.0 O A:HOH401 4.0 41.7 1.0 O A:VAL72 4.2 10.2 1.0 CA A:PHE75 4.2 9.7 1.0 CA A:GLU76 4.3 11.7 1.0 CB A:PHE75 4.3 10.2 1.0 C A:PHE75 4.4 10.0 1.0 C A:ASN73 4.4 9.2 1.0 CA A:ASN73 4.7 10.0 1.0 O A:GLY74 4.7 8.6 1.0 OD1 A:ASN73 4.9 20.4 1.0

Bromine binding site 5 out of 12 in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br205 b:14.4 occ:0.67 OG A:SER113 3.2 10.5 1.0 NZ A:LYS127 3.2 21.1 1.0 NE2 A:GLN130 3.4 18.9 1.0 CB A:SER113 3.6 8.8 1.0 OE1 A:GLN130 4.0 21.5 1.0 CE A:LYS127 4.0 22.1 1.0 CA A:SER113 4.1 7.6 1.0 CD A:GLN130 4.2 20.4 1.0 CD2 A:LEU116 4.2 11.9 1.0 CD1 A:LEU116 4.4 11.8 1.0 CG A:LEU116 4.7 10.8 1.0

Bromine binding site 6 out of 12 in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br206 b:23.1 occ:0.32 O A:PHE75 2.8 10.6 1.0 O A:HOH315 2.9 29.7 1.0 N A:ASP79 3.0 12.4 1.0 CB A:ASP79 3.4 18.5 1.0 CB A:ILE78 3.6 10.0 1.0 O A:GLU76 3.6 11.5 1.0 N A:ILE78 3.6 9.7 1.0 CA A:GLU76 3.7 11.7 1.0 C A:GLU76 3.7 9.8 1.0 C A:PHE75 3.8 10.0 1.0 CA A:ASP79 3.8 14.7 1.0 C A:ILE78 3.8 11.6 1.0 CA A:ILE78 3.8 9.8 1.0 O A:HOH374 3.8 26.7 1.0 CE2 A:PHE75 4.1 14.0 1.0 N A:GLU76 4.2 9.8 1.0 CD2 A:PHE75 4.2 12.6 1.0 CZ A:PHE75 4.3 14.2 1.0 N A:TYR77 4.4 9.1 1.0 C A:TYR77 4.4 9.0 1.0 CG1 A:ILE78 4.5 9.8 1.0 CG2 A:ILE78 4.5 11.7 1.0 CG A:PHE75 4.6 10.9 1.0 CE1 A:PHE75 4.7 13.4 1.0 CG A:ASP79 4.8 23.8 1.0 CD1 A:PHE75 4.8 11.3 1.0 CD1 A:ILE78 4.9 9.8 1.0 CB A:GLU76 4.9 14.5 1.0 O A:ILE78 4.9 13.2 1.0

Bromine binding site 7 out of 12 in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:28.1 occ:0.49 N B:LYS34 3.3 10.7 1.0 O B:HOH315 3.3 19.5 1.0 CA B:THR33 3.8 11.1 1.0 CB B:THR33 3.9 11.4 1.0 CG B:LYS34 3.9 16.4 1.0 CB B:LYS34 4.0 13.8 1.0 C B:THR33 4.1 10.9 1.0 CA B:LYS34 4.3 11.2 1.0 NZ B:LYS34 4.3 20.3 1.0 CG2 B:THR33 4.5 12.0 1.0 CD B:LYS34 4.6 18.8 1.0 O B:HOH387 4.6 33.2 1.0 O B:HOH376 4.9 37.6 1.0

Bromine binding site 8 out of 12 in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br202 b:20.2 occ:0.55 N B:GLY51 3.5 9.5 1.0 O B:HOH411 3.5 35.4 1.0 O B:HOH330 3.6 34.6 1.0 CA B:PHE50 3.8 9.2 1.0 O B:GLY51 4.1 11.6 1.0 C B:PHE50 4.1 9.2 1.0 CD1 B:PHE50 4.2 9.8 1.0 ND2 B:ASN43 4.3 19.6 1.0 O B:HIS49 4.4 10.6 1.0 CA B:GLY51 4.5 9.6 1.0 CG B:PHE50 4.6 8.6 1.0 ND1 B:HIS49 4.6 21.9 1.0 CB B:PHE50 4.6 8.9 1.0 N B:PHE50 4.7 9.8 1.0 C B:GLY51 4.8 10.7 1.0 CE1 B:PHE50 4.9 10.4 1.0 C B:HIS49 4.9 9.6 1.0 CE1 B:HIS49 4.9 23.2 1.0

Bromine binding site 9 out of 12 in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br203 b:14.0 occ:0.67 OG B:SER113 3.3 10.0 1.0 NZ B:LYS127 3.3 17.8 1.0 CB B:SER113 3.6 8.9 1.0 NE2 B:GLN130 3.6 17.3 1.0 OE1 B:GLN130 4.0 19.4 1.0 CA B:SER113 4.1 7.2 1.0 CD2 B:LEU116 4.2 10.6 1.0 CD B:GLN130 4.3 17.6 1.0 CE B:LYS127 4.3 18.0 1.0 CD1 B:LEU116 4.4 11.2 1.0 CG B:LEU116 4.6 9.8 1.0 O B:HOH346 4.8 17.1 1.0

Bromine binding site 10 out of 12 in the The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br204 b:22.0 occ:0.42 O B:HOH392 2.8 29.7 1.0 O B:HOH350 2.9 24.6 1.0 ND2 B:ASN15 3.2 11.4 1.0 CD B:LYS12 3.9 17.8 1.0 CB B:ASN15 3.9 8.8 1.0 CG B:LYS11 4.0 12.3 1.0 CA B:LYS12 4.0 8.2 1.0 O B:LYS11 4.0 9.1 1.0 CG B:ASN15 4.0 11.3 1.0 CE B:LYS11 4.2 21.0 1.0 C B:LYS11 4.3 8.2 1.0 N B:LYS12 4.4 7.1 1.0 NZ B:LYS12 4.5 22.5 1.0 CE B:LYS12 4.6 20.4 1.0 CB B:LYS12 4.6 10.3 1.0 CD B:LYS11 4.6 15.9 1.0 CG B:LYS12 4.7 13.6 1.0 O B:LYS12 4.9 7.9 1.0 C B:LYS12 5.0 7.3 1.0

K.Tan, L.Stols, W.Eschenfeldt, G.Babnigg, D.A.Low, C.S.Hayes, C.W.Goulding, A.Joachimiak. The Crystal Structure of An Immunity Protein NMB0503 From Neisseria Meningitidis MC58 To Be Published.