Bromine in PDB 7qfk: Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362)

The structure of Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362), PDB code: 7qfk was solved by T.Sagmeister, T.Pavkov-Keller, C.Buhlheller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.98 / 2.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.166, 98.875, 155.13, 90, 90, 90
R / Rfree (%)	20.2 / 23.1

The structure of Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362) also contains other interesting chemical elements:

Mercury	(Hg)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Bromine atom in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362) (pdb code 7qfk). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362), PDB code: 7qfk:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362)


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 S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:40.2 occ:0.77 N A:GLN214 3.3 32.8 1.0 ND2 A:ASN228 3.4 28.0 1.0 O A:HOH565 3.4 36.0 1.0 CA A:PHE213 3.7 32.9 1.0 CB A:ASN228 3.9 29.9 1.0 CD1 A:PHE213 4.0 31.4 1.0 CG A:ASN228 4.0 29.8 1.0 C A:PHE213 4.0 33.2 1.0 CB A:PHE213 4.1 31.3 1.0 CB A:GLN214 4.2 37.2 1.0 O A:GLN214 4.3 35.9 1.0 CA A:GLN214 4.3 35.4 1.0 O A:VAL212 4.4 37.6 1.0 CG A:GLN214 4.4 41.5 1.0 CG A:PHE213 4.5 31.8 1.0 C A:GLN214 4.8 34.0 1.0 N A:PHE213 4.9 34.3 1.0 NZ A:LYS199 4.9 52.0 1.0 O A:HOH501 5.0 41.5 1.0

Bromine binding site 2 out of 4 in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362)


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 S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362) within 5.0Å range: probe atom residue distance (Å) B Occ B:Br403 b:37.6 occ:0.79 N B:GLN214 3.4 34.7 1.0 ND2 B:ASN228 3.4 28.5 1.0 O B:HOH551 3.5 33.0 1.0 CA B:PHE213 3.7 33.3 1.0 CB B:ASN228 3.8 28.7 1.0 CD1 B:PHE213 3.9 33.1 1.0 CG B:ASN228 4.0 29.1 1.0 C B:PHE213 4.1 35.2 1.0 CB B:PHE213 4.1 32.8 1.0 NZ B:LYS199 4.1 49.4 1.0 CB B:GLN214 4.3 39.8 1.0 O B:GLN214 4.3 34.4 1.0 CA B:GLN214 4.3 37.7 1.0 O B:VAL212 4.4 36.8 1.0 CG B:PHE213 4.5 32.8 1.0 O B:HOH538 4.6 47.7 1.0 CG B:GLN214 4.6 43.5 1.0 O B:HOH501 4.7 44.5 1.0 CD1 B:ILE234 4.8 37.2 1.0 C B:GLN214 4.8 35.8 1.0 OE1 B:GLN214 4.8 55.2 1.0 N B:PHE213 4.9 34.4 1.0 CE1 B:PHE213 5.0 33.3 1.0

Bromine binding site 3 out of 4 in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362)


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 S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362) within 5.0Å range: probe atom residue distance (Å) B Occ C:Br402 b:41.9 occ:0.79 N C:GLN214 3.4 36.4 1.0 ND2 C:ASN228 3.4 32.9 1.0 CA C:PHE213 3.7 35.2 1.0 CB C:ASN228 3.8 32.6 1.0 CD1 C:PHE213 3.8 35.5 1.0 CB C:PHE213 4.0 35.0 1.0 CG C:ASN228 4.0 33.3 1.0 C C:PHE213 4.1 35.1 1.0 O C:GLN214 4.2 33.0 1.0 O C:HOH547 4.3 41.5 1.0 CA C:GLN214 4.4 36.6 1.0 CG C:PHE213 4.4 35.7 1.0 CB C:GLN214 4.4 37.6 1.0 O C:VAL212 4.5 33.9 1.0 C C:GLN214 4.8 35.5 1.0 CG C:GLN214 4.8 42.0 1.0 CD1 C:ILE234 4.8 43.0 1.0 CE1 C:PHE213 4.8 35.0 1.0 N C:PHE213 4.9 34.8 1.0

Bromine binding site 4 out of 4 in the Crystal Structure of S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362)


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 S-Layer Protein Slpx From Lactobacillus Acidophilus, Domain II, Co-Crystallization with HGCL2, Mutation SER316CYS (Aa 194-362) within 5.0Å range: probe atom residue distance (Å) B Occ D:Br402 b:49.9 occ:0.76 O D:HOH546 3.4 37.0 1.0 N D:GLN214 3.4 40.1 1.0 ND2 D:ASN228 3.5 40.2 1.0 CA D:PHE213 3.8 38.2 1.0 CB D:ASN228 3.9 38.9 1.0 CD1 D:PHE213 4.0 36.0 1.0 CG D:ASN228 4.1 39.3 1.0 C D:PHE213 4.1 39.3 1.0 CB D:PHE213 4.1 36.1 1.0 O D:GLN214 4.2 38.3 1.0 CB D:GLN214 4.4 39.5 1.0 CA D:GLN214 4.4 38.8 1.0 O D:VAL212 4.5 41.2 1.0 CG D:PHE213 4.6 36.3 1.0 CG D:GLN214 4.7 40.6 1.0 CE D:LYS199 4.7 64.3 1.0 NZ D:LYS199 4.8 65.5 1.0 C D:GLN214 4.8 38.1 1.0 N D:PHE213 4.9 39.2 1.0 CD1 D:ILE234 5.0 43.6 1.0 CE1 D:PHE213 5.0 36.9 1.0

T.Sagmeister, M.Eder, C.Grininger, D.Vejzovic, C.Buhlheller, A.Dordic, E.Damisch, C.Millan, A.Medina, I.Uson, M.Baek, R.Read, D.Baker, T.Pavkov-Keller. The Self-Assembly of the S-Layer Protein From Lactobacilli Acidophilus To Be Published.