Gold in PDB 7r1m: Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein

The structure of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein, PDB code: 7r1m was solved by P.Brear, S.Schack, G.Christie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.39 / 1.64
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.298, 95.298, 117.183, 90, 90, 90
R / Rfree (%)	20.9 / 23.5

The structure of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Calcium	(Ca)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Gold atom in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein (pdb code 7r1m). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 13 binding sites of Gold where determined in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein, PDB code: 7r1m:
Jump to Gold binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Gold binding site 1 out of 13 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Au201 b:54.0 occ:1.00 O A:ARG159 2.5 32.4 1.0 O A:HOH376 2.7 32.5 1.0 O A:HOH379 2.8 48.9 1.0 C A:ARG159 3.0 30.7 1.0 C A:ALA34 3.2 32.3 1.0 OD1 A:ASN31 3.2 32.1 1.0 N A:PRO35 3.2 36.1 1.0 N A:ALA34 3.3 38.2 1.0 O A:ALA34 3.5 35.6 1.0 CA A:PRO35 3.6 35.7 1.0 CA A:ARG159 3.6 31.6 1.0 N A:SER33 3.7 44.6 1.0 N A:ALA160 3.8 28.0 1.0 CG A:ASN31 3.8 29.8 1.0 CA A:ALA34 3.9 39.5 1.0 CD A:PRO35 3.9 36.5 1.0 C A:SER33 4.0 45.6 1.0 CA A:ALA160 4.1 27.4 1.0 O A:ILE158 4.1 29.1 1.0 C A:ALA32 4.2 40.5 1.0 O A:ASN31 4.4 30.0 1.0 ND2 A:ASN31 4.4 27.4 1.0 CA A:SER33 4.4 46.4 1.0 CG A:PRO35 4.4 37.4 1.0 C A:ASN31 4.4 25.3 1.0 CA A:ALA32 4.4 31.4 1.0 CB A:ASN31 4.5 23.9 1.0 N A:ALA32 4.5 27.3 1.0 CB A:PRO35 4.5 36.0 1.0 N A:ARG159 4.6 26.5 1.0 CB A:ARG159 4.7 34.4 1.0 C A:PRO35 4.7 30.4 1.0 C A:ILE158 4.8 29.9 1.0 O A:ALA32 4.8 51.9 1.0 CB A:ALA160 4.9 29.8 1.0 O A:SER33 4.9 45.4 1.0

Gold binding site 2 out of 13 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Au202 b:87.4 occ:1.00 O A:HOH385 2.4 47.7 1.0 ND1 A:HIS174 3.7 139.0 1.0 ND1 A:HIS172 4.0 47.0 1.0 CE1 A:HIS172 4.0 50.8 1.0 ND1 A:HIS177 4.1 110.9 1.0 N A:HIS172 4.2 50.2 1.0 CB A:PRO171 4.2 47.3 1.0 CB A:ASN138 4.3 32.7 1.0 CG1 B:VAL57 4.3 45.7 1.0 CA A:PRO171 4.3 42.3 1.0 N A:HIS173 4.3 71.4 1.0 AU A:AU205 4.4 157.7 1.0 CD1 A:ILE77 4.4 37.0 1.0 CE1 A:HIS174 4.5 138.7 1.0 CB A:HIS173 4.6 93.8 1.0 C A:PRO171 4.7 48.0 1.0 CE1 A:HIS177 4.7 112.6 1.0 CG A:HIS174 4.8 138.5 1.0 N A:HIS174 4.9 123.5 1.0 CG A:HIS172 4.9 50.5 1.0 CG2 B:VAL57 4.9 61.1 1.0 NE2 A:HIS172 4.9 48.9 1.0 CA A:HIS173 5.0 88.5 1.0

Gold binding site 3 out of 13 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 3 of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Au203 b:103.5 occ:1.00 OE1 A:GLN167 3.5 34.8 1.0 CD A:GLN167 3.7 32.9 1.0 NE2 A:GLN167 3.7 32.7 1.0 NH2 A:ARG74 4.0 40.3 1.0 CA A:PRO24 4.2 37.8 1.0 O A:HOH377 4.4 47.4 1.0 CG A:GLN167 4.6 32.5 1.0 CB A:PRO24 4.6 39.6 1.0 N A:PRO24 4.6 41.4 1.0 N A:ARG170 4.7 43.0 1.0 O A:LEU23 4.8 40.3 1.0 C A:SER169 4.9 43.4 1.0 NH2 A:ARG170 5.0 85.0 1.0

Gold binding site 4 out of 13 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 4 of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Au204 b:42.2 occ:1.00 O A:HOH384 2.9 21.4 1.0 O A:VAL66 3.3 35.4 1.0 C A:VAL66 3.7 36.1 1.0 CA A:VAL66 3.9 33.8 1.0 N A:GLY67 4.4 30.1 1.0 CB A:VAL66 4.5 31.9 1.0 O A:HOH390 4.9 70.0 1.0 CA A:GLY67 4.9 30.4 1.0 O A:SER65 5.0 31.7 1.0

Gold binding site 5 out of 13 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 5 of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Au205 b:157.7 occ:1.00 CB A:HIS173 2.7 93.8 1.0 CG2 B:VAL57 2.9 61.1 1.0 CG A:HIS173 3.1 107.2 1.0 CD2 A:HIS173 3.6 108.5 1.0 NE2 A:HIS172 3.6 48.9 1.0 ND1 A:HIS173 3.9 108.0 1.0 CE1 A:HIS172 4.0 50.8 1.0 CA A:HIS173 4.1 88.5 1.0 CD2 A:HIS172 4.1 50.4 1.0 CB B:VAL57 4.3 46.4 1.0 O B:PRO58 4.4 34.4 1.0 AU A:AU202 4.4 87.4 1.0 N A:HIS173 4.4 71.4 1.0 NE2 A:HIS173 4.5 109.5 1.0 CD B:PRO58 4.6 40.1 1.0 CG1 B:VAL57 4.6 45.7 1.0 CE1 A:HIS173 4.7 107.4 1.0 ND1 A:HIS172 4.7 47.0 1.0 CG A:HIS172 4.8 50.5 1.0 CE1 A:HIS174 4.9 138.7 1.0 ND1 A:HIS174 5.0 139.0 1.0

Gold binding site 6 out of 13 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 6 of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Au201 b:44.5 occ:1.00 O B:HOH396 2.6 30.2 1.0 O C:HOH379 2.8 37.9 1.0 CG1 B:VAL122 3.5 36.9 1.0 O B:HOH334 3.9 48.2 1.0 CD1 B:ILE123 4.3 47.7 1.0 CB B:ILE123 4.3 36.7 1.0 CB B:VAL122 4.4 32.0 1.0 O C:HOH337 4.5 45.7 1.0 C6 B:BTB206 4.6 47.2 1.0 CG1 B:ILE123 4.6 47.1 1.0 CG1 C:VAL128 4.6 38.7 1.0 CB C:VAL128 4.6 35.5 1.0 CD1 A:ILE123 4.9 84.6 1.0 CG2 C:VAL128 5.0 36.9 1.0

Gold binding site 7 out of 13 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 7 of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Au202 b:37.3 occ:1.00 O C:HOH383 2.6 42.5 1.0 O B:HOH398 2.7 28.4 1.0 O C:THR125 3.6 72.7 1.0 CD1 B:ILE153 3.8 34.3 1.0 NH2 B:ARG119 4.0 36.3 1.0 CA C:THR125 4.1 59.9 1.0 C C:THR125 4.2 57.3 1.0 CG B:PRO95 4.2 35.9 1.0 CD B:ARG119 4.3 34.4 1.0 O B:HOH389 4.3 24.0 1.0 CB C:THR125 4.4 57.3 1.0 CB B:ALA97 4.4 30.4 1.0 CG2 C:THR125 4.5 57.4 1.0 CB B:ARG119 4.8 28.8 1.0 CG B:ARG119 4.8 31.3 1.0 CZ B:ARG119 5.0 37.2 1.0

Gold binding site 8 out of 13 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 8 of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Au203 b:63.3 occ:1.00 O B:ARG159 2.4 35.0 1.0 O B:HOH390 2.9 32.0 1.0 C B:ARG159 3.0 32.9 1.0 OD1 B:ASN31 3.2 36.8 1.0 C B:ALA34 3.3 39.1 1.0 N B:ALA34 3.3 41.4 1.0 N B:PRO35 3.4 35.9 1.0 O B:ALA34 3.5 43.1 1.0 N B:ALA160 3.6 29.4 1.0 CA B:ALA160 3.7 27.8 1.0 CA B:PRO35 3.7 36.0 1.0 N B:SER33 3.7 38.0 1.0 CG B:ASN31 3.8 34.7 1.0 CA B:ARG159 3.9 30.2 1.0 CA B:ALA34 3.9 42.2 1.0 O B:ASN31 4.0 30.4 1.0 C B:ALA32 4.0 39.0 1.0 CD B:PRO35 4.0 39.2 1.0 C B:SER33 4.1 48.2 1.0 C B:ASN31 4.1 28.9 1.0 CA B:ALA32 4.3 33.9 1.0 CG B:PRO35 4.3 40.2 1.0 O B:ILE158 4.3 36.6 1.0 N B:ALA32 4.4 29.4 1.0 CB B:ALA160 4.5 27.5 1.0 ND2 B:ASN31 4.5 34.1 1.0 CB B:ASN31 4.5 30.7 1.0 CA B:SER33 4.5 45.6 1.0 O B:ALA32 4.6 46.9 1.0 CB B:PRO35 4.6 36.6 1.0 N B:ARG159 4.9 27.5 1.0 C B:ALA160 4.9 28.2 1.0 C B:PRO35 4.9 34.9 1.0 CB B:ARG159 4.9 32.1 1.0 CA B:ASN31 5.0 29.8 1.0 C B:ILE158 5.0 29.8 1.0

Gold binding site 9 out of 13 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 9 of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Au204 b:68.8 occ:1.00 O B:HOH402 2.8 47.9 1.0 O B:HOH400 3.1 66.8 1.0 CE1 B:HIS172 3.6 51.3 1.0 ND1 B:HIS172 3.6 54.3 1.0 N B:HIS173 4.0 74.5 1.0 O B:HOH391 4.2 47.6 1.0 N B:HIS172 4.2 52.2 1.0 CB B:PRO171 4.2 45.8 1.0 O B:HOH370 4.3 44.5 1.0 CG2 C:VAL57 4.3 44.0 1.0 CB B:ASN138 4.3 35.9 1.0 CA B:PRO171 4.3 45.4 1.0 C B:HIS173 4.4 81.8 1.0 CD1 B:ILE77 4.5 35.7 1.0 C B:PRO171 4.6 49.6 1.0 NE2 B:HIS172 4.6 50.5 1.0 CG B:HIS172 4.7 57.6 1.0 CA B:HIS173 4.7 78.6 1.0 CB B:HIS173 4.9 76.0 1.0 O B:HIS173 4.9 82.6 1.0

Gold binding site 10 out of 13 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 10 of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Au205 b:126.1 occ:1.00 OE1 B:GLN167 3.7 36.2 1.0 CD B:GLN167 3.8 34.4 1.0 NE2 B:GLN167 3.8 32.6 1.0 CA B:PRO24 4.1 43.2 1.0 NH1 B:ARG74 4.1 40.8 1.0 CG B:ARG170 4.1 62.8 1.0 N B:PRO24 4.5 41.1 1.0 NH1 B:ARG170 4.5 80.5 1.0 O B:HOH394 4.5 50.1 1.0 CB B:PRO24 4.6 43.7 1.0 CG B:PRO24 4.6 48.7 1.0 CG2 B:THR22 4.6 86.8 1.0 CG B:GLN167 4.6 36.1 1.0 O B:LEU23 4.9 41.4 1.0 CD B:ARG170 4.9 72.5 1.0 O B:HOH365 4.9 64.0 1.0 C B:LEU23 4.9 43.0 1.0 N B:ARG170 4.9 36.5 1.0 CD B:PRO24 5.0 43.4 1.0

P.Brear, S.Schack, G.Christie. Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein" To Be Published.