Chlorine in PDB 3ezj: Crystal Structure of the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody

The structure of Crystal Structure of the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody, PDB code: 3ezj was solved by K.V.Korotkov, E.Pardon, J.Steyaert, W.G.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.67 / 2.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.520, 98.520, 402.100, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 23.9

The binding sites of Chlorine atom in the Crystal Structure of the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody (pdb code 3ezj). 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 the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody, PDB code: 3ezj:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody


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 the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl128 b:76.3 occ:1.00 O B:ILE51 3.9 43.3 1.0 CD B:ARG71 3.9 47.4 1.0 O B:THR52 4.0 43.3 1.0 CA B:SER53 4.1 43.6 1.0 C B:THR52 4.2 43.4 1.0 N B:SER53 4.2 43.4 1.0 O B:HOH134 4.4 57.4 1.0 CG2 B:ILE31 4.5 43.6 1.0 NH1 B:ARG71 4.5 48.6 1.0 CG2 B:ILE51 4.5 41.8 1.0 CB B:MET34 4.6 46.4 1.0 CG B:ARG71 4.7 47.2 1.0 CG B:MET34 4.7 46.8 1.0 C B:ILE51 4.8 43.0 1.0 CB B:SER53 4.8 43.8 1.0 N B:MET34 4.8 46.2 1.0 SD B:MET34 4.9 47.0 1.0 CG1 B:VAL78 5.0 44.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody


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 the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl128 b:70.0 occ:1.00 CD D:ARG71 3.6 47.2 1.0 O D:THR52 3.8 43.0 1.0 CA D:SER53 4.0 43.4 1.0 NH1 D:ARG71 4.1 49.0 1.0 C D:THR52 4.1 43.2 1.0 O D:ILE51 4.1 43.5 1.0 CG2 D:ILE51 4.2 41.6 1.0 N D:SER53 4.3 43.4 1.0 CG D:ARG71 4.5 47.0 1.0 NE D:ARG71 4.7 47.9 1.0 CB D:SER53 4.7 43.4 1.0 CG1 D:VAL78 4.7 44.2 1.0 N D:MET34 4.8 46.2 1.0 C D:ILE51 4.8 43.1 1.0 CB D:MET34 4.8 46.6 1.0 CZ D:ARG71 4.9 48.2 1.0 OD1 D:ASN73 4.9 49.5 1.0 CG2 D:ILE31 5.0 43.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody


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 the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl128 b:72.5 occ:1.00 CD F:ARG71 3.3 47.5 1.0 O F:THR52 3.4 43.6 1.0 O F:HOH156 3.7 57.0 1.0 NH1 F:ARG71 3.8 48.4 1.0 C F:THR52 3.9 43.4 1.0 CA F:SER53 4.0 43.5 1.0 O F:ILE51 4.0 43.3 1.0 CG2 F:ILE51 4.0 41.3 1.0 CG F:ARG71 4.2 47.0 1.0 N F:SER53 4.2 43.6 1.0 NE F:ARG71 4.4 47.6 1.0 CZ F:ARG71 4.5 48.0 1.0 CG1 F:ILE51 4.6 42.4 1.0 C F:ILE51 4.6 43.0 1.0 CG1 F:VAL78 4.7 44.8 1.0 C F:SER53 4.9 43.4 1.0 CB F:ILE51 4.9 42.9 1.0 OD1 F:ASN73 4.9 49.7 1.0 CB F:SER53 4.9 43.6 1.0 CG F:MET34 4.9 47.3 1.0 CB F:MET34 4.9 46.5 1.0 CA F:THR52 4.9 43.2 1.0 CD1 F:ILE51 5.0 42.1 1.0 O F:SER53 5.0 43.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody


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 the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl128 b:72.2 occ:1.00 O H:THR52 3.8 44.0 1.0 CA H:SER53 3.8 43.7 1.0 CD H:ARG71 3.9 47.6 1.0 C H:THR52 4.0 43.6 1.0 N H:SER53 4.0 43.7 1.0 O H:ILE51 4.1 44.0 1.0 NH1 H:ARG71 4.2 48.6 1.0 O H:HOH161 4.4 50.6 1.0 CG2 H:ILE31 4.5 43.9 1.0 CB H:SER53 4.5 43.8 1.0 CG2 H:ILE51 4.7 42.0 1.0 C H:SER53 4.8 43.9 1.0 C H:ILE51 4.8 43.5 1.0 CG H:ARG71 4.8 47.2 1.0 CG H:MET34 4.9 47.3 1.0 N H:MET34 4.9 46.3 1.0 CA H:THR52 4.9 43.4 1.0 CB H:MET34 4.9 46.7 1.0 O H:HOH134 5.0 47.8 1.0

K.V.Korotkov, E.Pardon, J.Steyaert, W.G.Hol. Crystal Structure of the N-Terminal Domain of the Secretin Gspd From Etec Determined with the Assistance of A Nanobody. Structure V. 17 255 2009.
ISSN: ISSN 0969-2126
PubMed: 19217396
DOI: 10.1016/J.STR.2008.11.011