Caesium in PDB 4qq1: Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis

The structure of Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis, PDB code: 4qq1 was solved by C.Calmettes, T.F.Moraes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.17 / 3.33
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.330, 99.971, 160.157, 90.00, 93.47, 90.00
R / Rfree (%)	24.9 / 30.1

The binding sites of Caesium atom in the Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis (pdb code 4qq1). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 8 binding sites of Caesium where determined in the Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis, PDB code: 4qq1:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Caesium binding site 1 out of 8 in the Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs601 b:0.2 occ:1.00 O A:ASP193 2.4 0.3 1.0 CA A:GLY191 3.1 0.7 1.0 NZ A:LYS194 3.5 92.6 1.0 C A:ASP193 3.6 0.4 1.0 C A:GLY191 4.0 0.7 1.0 CB A:LYS194 4.1 74.7 1.0 N A:ASP193 4.2 98.4 1.0 N A:SER195 4.2 56.7 1.0 N A:GLY192 4.2 58.1 1.0 N A:GLY191 4.3 0.1 1.0 CE A:LYS194 4.3 79.4 1.0 CA A:ASP193 4.4 0.2 1.0 CB A:ASP193 4.5 79.2 1.0 N A:LYS194 4.6 67.9 1.0 CG A:LYS194 4.6 68.1 1.0 CB A:SER195 4.7 77.1 1.0 CA A:LYS194 4.8 66.7 1.0 O A:GLY191 5.0 0.8 1.0

Caesium binding site 2 out of 8 in the Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs602 b:0.2 occ:1.00 OG A:SER290 3.2 76.6 1.0 NZ A:LYS279 3.2 0.7 1.0 N A:ASP291 3.9 57.5 1.0 CB A:ASN314 4.1 93.5 1.0 CB A:SER290 4.2 77.3 1.0 CA A:SER290 4.4 0.1 1.0 OD2 A:ASP291 4.4 0.2 1.0 CE A:LYS279 4.5 1.0 1.0 CB A:ASP291 4.6 0.2 1.0 CG A:ASN314 4.6 0.0 1.0 C A:SER290 4.7 96.9 1.0 CG A:ASP291 4.8 0.8 1.0 CA A:ASP291 4.8 62.3 1.0 OD1 A:ASN314 5.0 97.8 1.0

Caesium binding site 3 out of 8 in the Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs603 b:0.5 occ:1.00 NH2 A:ARG258 3.7 65.5 1.0 CA A:GLY185 3.9 69.2 1.0 ND1 A:HIS286 3.9 75.3 1.0 O A:GLY185 4.2 83.3 1.0 C A:GLY185 4.3 71.7 1.0 NH1 A:ARG240 4.4 74.1 1.0 NH2 A:ARG240 4.5 80.8 1.0 CZ A:ARG258 4.7 65.0 1.0 CE1 A:HIS286 4.7 80.6 1.0 CG A:HIS286 4.8 63.9 1.0 OG A:SER285 4.8 0.8 1.0 NH1 A:ARG258 4.8 56.3 1.0 CB A:HIS286 4.8 81.8 1.0 CB A:SER285 4.9 0.1 1.0 CZ A:ARG240 4.9 76.5 1.0 O A:SER285 5.0 0.6 1.0

Caesium binding site 4 out of 8 in the Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs604 b:0.6 occ:1.00 NH1 A:ARG243 3.3 0.8 1.0 O A:GLU203 3.4 0.9 1.0 CG A:GLU203 4.1 66.1 0.0 CZ A:ARG243 4.2 0.1 1.0 NH2 A:ARG243 4.3 0.1 1.0 C A:GLU203 4.3 94.1 1.0 CA A:GLU203 4.7 81.7 1.0

Caesium binding site 5 out of 8 in the Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cs601 b:0.6 occ:1.00 O B:ASP193 2.5 0.9 1.0 CA B:GLY191 3.3 0.4 1.0 C B:ASP193 3.7 0.2 1.0 CE B:LYS194 3.8 82.2 1.0 OG B:SER195 4.0 0.5 1.0 N B:ASP193 4.1 90.2 1.0 C B:GLY191 4.2 0.2 1.0 CB B:LYS194 4.3 78.3 1.0 N B:GLY191 4.3 0.1 1.0 CA B:ASP193 4.4 97.2 1.0 N B:GLY192 4.5 76.0 1.0 N B:SER195 4.5 0.5 1.0 NZ B:LYS194 4.5 83.8 1.0 CB B:ASP193 4.7 81.9 1.0 N B:LYS194 4.7 0.2 1.0 O B:SER188 4.8 95.6 1.0 O B:GLY191 4.9 1.0 1.0

Caesium binding site 6 out of 8 in the Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cs602 b:0.0 occ:1.00 OG B:SER290 3.7 75.5 1.0 NZ B:LYS279 3.9 81.8 1.0 CE B:LYS279 4.0 79.0 1.0 CB B:ASN314 4.1 96.0 1.0 N B:ASP291 4.3 76.6 1.0 CG B:ASN314 4.6 0.4 1.0 CB B:SER290 4.7 78.8 1.0 OD1 B:ASN314 4.7 97.2 1.0 CB B:ASP291 4.8 87.3 1.0 O B:ASP291 4.8 73.1 1.0 CA B:SER290 4.9 97.2 1.0

Caesium binding site 7 out of 8 in the Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cs601 b:0.9 occ:1.00 O C:GLY191 3.2 0.6 1.0 N C:LYS194 3.6 0.6 1.0 CB C:ASP193 3.7 0.3 1.0 N C:ASP193 3.9 0.7 1.0 N C:SER195 3.9 0.7 1.0 C C:GLY191 4.2 0.4 1.0 CA C:ASP193 4.2 0.4 1.0 CB C:LYS194 4.3 0.6 1.0 CA C:LYS194 4.4 0.8 1.0 C C:ASP193 4.4 0.5 1.0 CB C:SER195 4.4 1.0 1.0 CG C:LYS194 4.5 0.8 0.0 C C:LYS194 4.7 0.7 1.0 CA C:SER195 4.8 0.9 1.0 CG C:ASP193 4.9 0.6 1.0 CA C:GLY191 4.9 0.1 1.0

Caesium binding site 8 out of 8 in the Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Crystal Structure of the Isotype 1 Transferrin Binding Protein B (Tbpb) From Serogroup B Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cs602 b:0.4 occ:1.00 NH2 C:ARG258 3.6 0.9 1.0 ND1 C:HIS286 3.8 0.7 1.0 NH1 C:ARG240 4.3 96.1 1.0 CE1 C:HIS286 4.3 0.9 1.0 NH1 C:ARG258 4.5 0.5 1.0 CZ C:ARG258 4.5 0.9 1.0 CA C:GLY185 4.5 0.8 1.0 O C:GLY185 4.7 0.6 1.0 C C:GLY185 4.9 0.0 1.0 OG C:SER285 4.9 0.8 1.0 CG C:HIS286 5.0 0.8 1.0 CZ C:ARG240 5.0 0.2 1.0

P.Adamiak, C.Calmettes, T.F.Moraes, A.B.Schryvers. Patterns of Structural and Sequence Variation Within Isotype Lineages of the Neisseria Meningitidis Transferrin Receptor System. Microbiologyopen 2015.
PubMed: 25800619
DOI: 10.1002/MBO3.254