Chlorine in PDB 5m7q: Engineering the Thermostability of Nanobodies - NBD2

The structure of Engineering the Thermostability of Nanobodies - NBD2, PDB code: 5m7q was solved by N.Soler, P.Kunz, S.Muyldermans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.69 / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	49.058, 49.058, 225.735, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 24.9

The structure of Engineering the Thermostability of Nanobodies - NBD2 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Engineering the Thermostability of Nanobodies - NBD2 (pdb code 5m7q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Engineering the Thermostability of Nanobodies - NBD2, PDB code: 5m7q:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Engineering the Thermostability of Nanobodies - NBD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Engineering the Thermostability of Nanobodies - NBD2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:47.6 occ:1.00 O B:HOH388 2.8 31.3 1.0 NH1 B:ARG106 3.1 50.6 1.0 N B:SER97 3.2 23.1 1.0 O B:HOH378 3.5 40.4 1.0 CB B:ASP96 3.8 17.1 1.0 CD B:ARG106 3.8 43.0 1.0 CA B:SER97 3.9 22.6 1.0 C B:SER97 4.0 21.2 1.0 CB B:SER97 4.1 24.0 1.0 N B:ARG98 4.1 20.0 1.0 O B:HOH364 4.1 27.9 1.0 CZ B:ARG106 4.2 44.7 1.0 CG B:ARG98 4.2 27.8 1.0 C B:ASP96 4.2 21.3 1.0 CA B:ASP96 4.3 17.4 1.0 NE B:ARG106 4.5 50.2 1.0 CG B:ASP96 4.5 16.8 1.0 O B:SER97 4.6 26.4 1.0 CE2 B:TYR107 4.7 24.5 1.0 CD B:ARG98 4.8 31.5 1.0 CB B:ARG106 4.8 28.5 1.0 OD1 B:ASP96 4.8 17.5 1.0 OG B:SER97 4.9 23.3 1.0 CA B:ARG98 4.9 20.6 1.0 CG B:ARG106 4.9 36.8 1.0

Chlorine binding site 2 out of 7 in the Engineering the Thermostability of Nanobodies - NBD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Engineering the Thermostability of Nanobodies - NBD2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:70.3 occ:1.00 NH1 B:ARG19 3.5 29.1 1.0 O A:HOH359 3.6 42.8 1.0 NH2 B:ARG19 3.6 29.7 1.0 O A:HOH308 3.8 40.1 1.0 CZ B:ARG19 4.0 26.9 1.0 ND2 A:ASN81 4.2 24.6 1.0 CG A:ASN81 4.6 25.7 1.0 CB A:ASN81 4.6 23.9 1.0 O A:HOH354 4.8 35.8 1.0

Chlorine binding site 3 out of 7 in the Engineering the Thermostability of Nanobodies - NBD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Engineering the Thermostability of Nanobodies - NBD2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:69.9 occ:1.00 O B:HOH384 3.2 48.4 1.0 O B:HOH332 3.7 39.6 1.0 NE1 B:TRP108 3.8 21.0 1.0 CD1 B:TRP108 3.9 18.2 1.0 NH1 B:ARG42 4.1 38.3 1.0 CG B:TRP108 4.1 18.3 1.0 CE2 B:TRP108 4.2 18.9 1.0 CD2 B:TRP108 4.4 17.2 1.0 O B:HOH361 4.4 50.6 1.0 CZ B:ARG42 4.9 31.8 1.0 CZ2 B:TRP108 4.9 17.8 1.0 NH2 B:ARG42 5.0 33.2 1.0 CB B:TRP108 5.0 16.4 1.0

Chlorine binding site 4 out of 7 in the Engineering the Thermostability of Nanobodies - NBD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Engineering the Thermostability of Nanobodies - NBD2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:68.6 occ:1.00 OG B:SER17 2.8 22.3 1.0 O B:GLY15 3.0 21.9 1.0 NH2 A:ARG19 3.4 55.8 1.0 N B:SER82 3.5 22.0 1.0 C B:GLY16 3.6 19.6 1.0 O B:GLY16 3.6 19.6 1.0 NE A:ARG19 3.7 44.3 1.0 O A:HOH324 3.8 27.3 1.0 CZ A:ARG19 3.9 56.9 1.0 N B:SER17 4.0 18.2 1.0 CA B:GLY16 4.0 20.8 1.0 CB B:SER17 4.0 20.7 1.0 C B:GLY15 4.1 22.3 1.0 OD1 B:ASN81 4.2 24.9 1.0 CA B:SER82 4.3 25.2 1.0 CB B:ASN81 4.3 21.2 1.0 CA B:ASN81 4.3 20.3 1.0 CA B:SER17 4.4 16.6 1.0 C B:ASN81 4.4 22.0 1.0 N B:GLY16 4.6 21.0 1.0 CG B:ASN81 4.6 19.9 1.0 CB A:ARG19 4.8 25.0 1.0 OG B:SER82 4.8 33.0 1.0 CG A:ARG19 4.8 29.2 1.0 CD A:ARG19 4.9 33.7 1.0

Chlorine binding site 5 out of 7 in the Engineering the Thermostability of Nanobodies - NBD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Engineering the Thermostability of Nanobodies - NBD2 within 5.0Å range:

Chlorine binding site 6 out of 7 in the Engineering the Thermostability of Nanobodies - NBD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Engineering the Thermostability of Nanobodies - NBD2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:62.7 occ:1.00 N A:GLY103 3.4 41.4 1.0 CA A:GLY103 4.0 45.9 1.0 C A:SER102 4.4 43.5 1.0 N A:THR104 4.4 49.1 1.0 CA A:SER102 4.5 38.1 1.0 C A:GLY103 4.5 49.8 1.0 CB A:SER102 4.8 37.7 1.0 OG1 A:THR104 4.9 48.6 1.0 CB A:THR104 5.0 49.9 1.0

Chlorine binding site 7 out of 7 in the Engineering the Thermostability of Nanobodies - NBD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Engineering the Thermostability of Nanobodies - NBD2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:60.6 occ:1.00 NH1 A:ARG106 3.4 73.5 1.0 N A:SER97 3.5 31.4 1.0 CB A:SER97 4.2 37.6 1.0 CD A:ARG106 4.2 58.0 1.0 CB A:ASP96 4.2 28.5 1.0 CA A:SER97 4.3 33.5 1.0 C A:ASP96 4.5 33.0 1.0 CA A:ASP96 4.5 28.9 1.0 CZ A:ARG106 4.5 67.2 1.0 C A:SER97 4.5 35.8 1.0 N A:ARG98 4.6 32.8 1.0 CE2 A:TYR107 4.7 38.8 1.0 CG A:ARG98 4.8 42.4 1.0 NE A:ARG106 4.8 64.3 1.0 NH1 A:ARG98 4.9 63.9 1.0 OG A:SER97 5.0 39.5 1.0

P.Kunz, T.Flock, N.Soler, M.Zaiss, C.Vincke, Y.Sterckx, S.Muyldermans, D.Kastelic, J.Hoheisel. Engineering the Thermostability of Nanobodies To Be Published.