Chlorine in PDB 5bk2: Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody

The structure of Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody, PDB code: 5bk2 was solved by S.Mukherjee, A.A.Kossiakoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	217.170, 42.380, 200.660, 90.00, 90.07, 90.00
R / Rfree (%)	21.2 / 25.9

The binding sites of Chlorine atom in the Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody (pdb code 5bk2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody, PDB code: 5bk2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody


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 Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:69.7 occ:1.00 O B:HOH533 3.5 52.0 1.0 O B:ALA163 3.7 35.7 1.0 C B:ASP164 4.0 49.6 1.0 CA B:ASP164 4.0 46.0 1.0 N B:GLY165 4.0 48.5 1.0 NZ B:LYS256 4.1 43.2 1.0 CG B:GLN253 4.2 60.8 1.0 OD1 B:ASP164 4.2 57.8 1.0 CE B:LYS256 4.3 43.8 1.0 O B:ASP164 4.5 56.3 1.0 C B:ALA163 4.5 42.9 1.0 CA B:GLY165 4.6 45.1 1.0 N B:ASP164 4.6 44.3 1.0 CB B:GLN253 4.9 54.3 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody


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 Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:63.4 occ:1.00 NZ A:LYS140 3.5 59.0 1.0 CE A:LYS140 4.3 57.6 1.0 O A:LYS202 4.4 63.3 1.0 O A:HIS203 4.4 51.2 1.0 CB A:SER145 4.5 57.2 1.0 C A:HIS203 4.7 52.4 1.0 CA A:MET204 4.9 55.1 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody


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 Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl308 b:60.2 occ:1.00 O C:LYS222 3.7 40.8 1.0 N C:LYS222 3.8 32.6 1.0 CA C:THR221 4.2 34.4 1.0 CG2 C:THR221 4.3 34.0 1.0 O C:ASN220 4.3 36.8 1.0 C C:THR221 4.5 30.7 1.0 C C:LYS222 4.5 36.9 1.0 CA C:LYS222 4.7 33.8 1.0 CB C:THR221 4.8 33.5 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody


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 Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl304 b:71.3 occ:1.00 O H:VAL127 3.4 35.4 1.0 OG1 H:THR94 4.0 38.8 1.0 CB H:SER128 4.2 29.4 1.0 C H:VAL127 4.4 35.2 1.0 O H:ALA91 4.4 46.3 1.0 OG H:SER128 4.6 27.5 1.0 CB H:THR94 4.7 41.7 1.0 CB H:ALA91 4.7 42.0 1.0 CA H:SER128 4.7 34.2 1.0 CG2 H:THR126 4.8 26.8 1.0 CG2 H:THR94 4.9 46.0 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl305 b:73.0 occ:1.00 NH1 H:ARG101 3.5 51.3 1.0 O H:GLY29 4.2 56.3 1.0 NH2 H:ARG101 4.3 47.2 1.0 CB H:PHE30 4.3 40.2 1.0 CG2 H:VAL5 4.4 54.9 1.0 CZ H:ARG101 4.4 48.1 1.0 CE H:LYS103 4.8 40.5 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl306 b:79.6 occ:1.00 O H:GLU9 3.9 38.0 1.0 CG1 H:VAL8 4.3 36.5 1.0 CB H:SER10 4.6 38.2 1.0 OG H:SER10 4.8 48.6 1.0 NE2 H:GLN121 5.0 50.5 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Maltose Binding Protein in Complex with A Peristeric Synthetic Antibody within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:82.8 occ:1.00 O D:GLY65 3.1 36.4 1.0 O D:HOH420 3.1 32.3 1.0 C D:GLY65 4.2 32.8 1.0 CB D:SER53 4.3 29.4 1.0 N D:GLY65 4.4 29.1 1.0 CB D:SER64 4.4 31.5 1.0 O D:SER53 4.7 29.9 1.0 CB D:SER66 4.9 30.8 0.8 CB D:SER66 4.9 30.8 0.2 CA D:GLY65 4.9 27.3 1.0

S.Mukherjee, D.H.Griffin, J.R.Horn, S.S.Rizk, M.Nocula-Lugowska, M.Malmqvist, S.S.Kim, A.A.Kossiakoff. Engineered Synthetic Antibodies As Probes to Quantify the Energetic Contributions of Ligand Binding to Conformational Changes in Proteins. J. Biol. Chem. V. 293 2815 2018.
ISSN: ESSN 1083-351X
PubMed: 29321208
DOI: 10.1074/JBC.RA117.000656