Chlorine in PDB 1tjb: Crystal Structure of A High Affinity Lanthanide-Binding Peptide (Lbt)

The structure of Crystal Structure of A High Affinity Lanthanide-Binding Peptide (Lbt), PDB code: 1tjb was solved by M.Nitz, M.Sherawat, K.J.Franz, E.Peisach, K.N.Allen, B.Imperiali, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.18 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	52.160, 22.270, 30.030, 90.00, 103.89, 90.00
R / Rfree (%)	16.1 / 19.5

The structure of Crystal Structure of A High Affinity Lanthanide-Binding Peptide (Lbt) also contains other interesting chemical elements:

Terbium

(Tb)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of A High Affinity Lanthanide-Binding Peptide (Lbt) (pdb code 1tjb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of A High Affinity Lanthanide-Binding Peptide (Lbt), PDB code: 1tjb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A High Affinity Lanthanide-Binding Peptide (Lbt)


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 A High Affinity Lanthanide-Binding Peptide (Lbt) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:9.7 occ:1.00 O A:ALA115 3.4 11.1 1.0 N A:NH2116 3.8 8.1 1.0 C A:ALA115 4.0 9.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A High Affinity Lanthanide-Binding Peptide (Lbt)


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 A High Affinity Lanthanide-Binding Peptide (Lbt) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:12.0 occ:1.00 O A:HOH9 2.8 19.3 1.0 N A:ASP101 3.1 10.9 1.0 CA A:ILE100 3.6 10.8 1.0 C A:ILE100 3.8 11.7 1.0 CB A:ASP101 4.0 11.6 1.0 O A:TYR99 4.0 10.6 1.0 CA A:ASP101 4.1 11.7 1.0 CG2 A:ILE100 4.1 11.0 1.0 CE2 A:TYR108 4.2 9.7 1.0 OH A:TYR108 4.2 9.9 1.0 CB A:ILE100 4.4 11.2 1.0 N A:ILE100 4.6 10.6 1.0 C A:ASP101 4.6 11.0 1.0 C A:TYR99 4.7 10.6 1.0 CZ A:TYR108 4.7 10.6 1.0 O A:ASP101 4.7 11.6 1.0 CG1 A:ILE100 4.9 12.8 1.0 O A:HOH13 5.0 8.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A High Affinity Lanthanide-Binding Peptide (Lbt)


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 A High Affinity Lanthanide-Binding Peptide (Lbt) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:13.9 occ:1.00 N A:TYR99 3.3 9.9 1.0 O A:TYR99 3.5 10.6 1.0 C A:TYR99 3.9 10.6 1.0 CA A:TYR99 4.0 11.0 1.0 CG1 A:ILE100 4.5 12.8 1.0 O A:HOH8 4.7 31.2 1.0 N A:ILE100 4.8 10.6 1.0

M.Nitz, M.Sherawat, K.J.Franz, E.Peisach, K.N.Allen, B.Imperiali. Structural Origin of the High Affinity of A Chemically Evolved Lanthanide-Binding Peptide Angew.Chem.Int.Ed.Engl. V. 43 3682 2004.
ISSN: ISSN 1433-7851
PubMed: 15248272
DOI: 10.1002/ANIE.200460028