Chlorine in PDB 6nl6: Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q)

The structure of Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q), PDB code: 6nl6 was solved by T.Huxford, S.Boguslaw, B.Maniaci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.38 / 1.40
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	48.292, 48.292, 83.341, 90.00, 90.00, 120.00
R / Rfree (%)	14.5 / 21.4

The structure of Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) (pdb code 6nl6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q), PDB code: 6nl6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl104 b:21.0 occ:1.00 NE2 B:HIS32 1.7 26.6 1.0 CE1 B:HIS32 1.8 21.0 1.0 ZN B:ZN101 2.0 19.2 1.0 OE2 A:GLU27 2.1 20.9 1.0 CE1 B:HIS36 2.6 24.7 0.4 OE1 A:GLU27 2.7 23.1 1.0 O A:HOH246 2.7 21.4 1.0 CD A:GLU27 2.8 16.0 1.0 CD2 B:HIS32 3.1 30.0 1.0 ND1 B:HIS32 3.1 35.5 1.0 NE2 B:HIS36 3.3 22.4 0.6 NE2 B:HIS36 3.4 25.8 0.4 ND1 B:HIS36 3.6 22.4 0.4 CG B:HIS32 3.7 26.2 1.0 CD2 B:HIS36 3.9 12.0 0.6 NH1 A:ARG31 4.0 19.4 1.0 CE1 B:HIS36 4.1 18.1 0.6 CG A:GLU27 4.2 15.3 1.0 O B:HOH248 4.2 12.3 1.0 O A:HOH257 4.6 35.4 1.0 CD2 B:HIS36 4.6 25.1 0.4 NE A:ARG31 4.6 15.7 1.0 CG B:HIS36 4.7 21.8 0.4 CZ A:ARG31 4.8 15.3 1.0 CG B:HIS36 4.9 18.6 0.6 O B:HOH259 4.9 39.1 1.0 ND1 B:HIS36 5.0 19.8 0.6

Chlorine binding site 2 out of 4 in the Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl105 b:19.6 occ:1.00 ZN B:ZN103 2.0 18.5 1.0 OE2 B:GLU27 2.1 21.3 1.0 O B:HOH251 2.6 23.0 1.0 OE1 B:GLU27 2.6 21.3 1.0 CD B:GLU27 2.7 15.2 1.0 NH1 B:ARG31 4.1 20.1 1.0 CG B:GLU27 4.2 13.7 1.0 O B:HOH253 4.2 11.3 1.0 NE B:ARG31 4.6 18.4 1.0 O B:HOH258 4.7 40.4 1.0 CZ B:ARG31 4.8 17.3 1.0 O B:HOH252 4.9 38.1 1.0 O B:HOH234 5.0 18.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl102 b:22.5 occ:1.00 CE1 C:HIS32 1.6 15.2 1.0 NE2 C:HIS32 2.0 16.1 1.0 CE1 C:HIS36 2.4 10.5 0.3 ZN C:ZN101 2.5 23.1 1.0 ND1 C:HIS32 2.8 14.6 1.0 NE2 C:HIS36 3.1 11.2 0.3 NE2 C:HIS36 3.2 12.0 0.7 CD2 C:HIS32 3.4 15.1 1.0 ND1 C:HIS36 3.6 12.4 0.3 CG C:HIS32 3.7 16.7 1.0 CD2 C:HIS36 3.7 8.2 0.7 CE1 C:HIS36 4.3 12.6 0.7 CD2 C:HIS36 4.4 11.8 0.3 CG C:HIS36 4.6 12.7 0.3 O C:HOH244 4.7 13.4 1.0 CG C:HIS36 5.0 14.0 0.7

Chlorine binding site 4 out of 4 in the Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl102 b:20.2 occ:1.00 CE1 D:HIS32 1.7 12.2 1.0 NE2 D:HIS32 2.0 12.7 1.0 ZN D:ZN101 2.4 20.4 1.0 CE1 D:HIS36 2.5 18.7 0.3 ND1 D:HIS32 2.9 17.6 1.0 NE2 D:HIS36 3.1 12.8 0.7 NE2 D:HIS36 3.2 14.8 0.3 CD2 D:HIS32 3.4 11.6 1.0 ND1 D:HIS36 3.6 18.5 0.3 CD2 D:HIS36 3.6 16.9 0.7 CG D:HIS32 3.8 16.0 1.0 CE1 D:HIS36 4.1 14.4 0.7 O D:HOH247 4.5 12.2 1.0 CD2 D:HIS36 4.5 22.0 0.3 CG D:HIS36 4.7 16.2 0.3 O A:HOH256 4.8 32.7 1.0 CG D:HIS36 4.8 15.1 0.7

B.Maniaci, C.H.Lipper, D.L.Anipindi, H.Erlandsen, J.L.Cole, B.Stec, T.Huxford, J.J.Love. Design of High-Affinity Metal-Controlled Protein Dimers. Biochemistry V. 58 2199 2019.
ISSN: ISSN 0006-2960
PubMed: 30938154
DOI: 10.1021/ACS.BIOCHEM.9B00055