Chlorine in PDB 9v6z: Crystal Structure of Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III)

The structure of Crystal Structure of Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III), PDB code: 9v6z was solved by A.Saeed, C.Betzel, H.Brognaro, P.Rajaiah Prabhu, B.Alves Franca, S.Mehmood, B.Khaliq, U.Ishaq, A.Akrem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.42 / 1.44
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	45.179, 73.121, 31.296, 90, 90, 90
R / Rfree (%)	19 / 21.9

The structure of Crystal Structure of Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III) also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III) (pdb code 9v6z). 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 Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III), PDB code: 9v6z:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III)


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 Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:53.4 occ:1.00 NH1 B:ARG81 3.5 34.0 1.0 CA A:PRO11 3.6 26.1 1.0 N A:PRO11 3.7 22.8 1.0 CG A:PRO11 3.9 28.4 1.0 CD B:ARG81 3.9 30.4 1.0 C A:CYS10 3.9 23.1 1.0 CG2 B:THR78 4.0 20.8 1.0 O A:CYS10 4.0 21.9 1.0 CB A:PRO11 4.1 24.7 1.0 CD A:PRO11 4.2 24.9 1.0 CB A:PHE14 4.4 18.8 1.0 OG B:SER77 4.4 44.6 1.0 CB A:CYS10 4.4 25.6 1.0 CZ B:ARG81 4.5 41.2 1.0 NE B:ARG81 4.7 40.0 1.0 CA B:THR78 4.7 17.5 1.0 CG A:PHE14 4.7 18.5 1.0 CA A:CYS10 4.8 21.3 1.0 C A:PRO11 4.9 26.0 1.0 CB B:THR78 4.9 18.0 1.0 CB B:ARG81 4.9 19.5 1.0 CD2 A:PHE14 4.9 21.4 1.0 N B:THR78 5.0 18.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III)


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 Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:51.4 occ:1.00 NH2 B:ARG56 3.4 32.1 1.0 O B:CYS112 3.5 45.8 1.0 CE1 B:HIS68 3.5 37.5 1.0 NH1 B:ARG56 3.5 33.3 1.0 NE2 B:HIS68 3.7 44.1 1.0 CB B:CYS64 3.7 22.0 1.0 CZ B:ARG56 3.9 28.0 1.0 C B:CYS112 3.9 48.3 1.0 SG B:CYS64 4.2 25.2 1.0 CA B:CYS112 4.2 29.4 1.0 CB B:CYS112 4.6 42.9 1.0 ND1 B:HIS68 4.7 38.4 1.0 N B:GLY113 4.8 47.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III)


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 Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:50.2 occ:1.00 O B:HOH330 2.8 51.9 1.0 O A:HOH212 3.0 25.8 1.0 NH2 B:ARG89 3.2 21.4 1.0 OG A:SER25 3.7 32.9 1.0 N A:SER25 3.7 15.0 1.0 C A:GLU24 3.7 14.6 1.0 CA A:SER25 3.8 16.8 1.0 O A:GLU24 3.8 15.8 1.0 CB A:GLU24 3.9 13.6 1.0 OG1 B:THR86 4.2 38.8 1.0 CB A:SER25 4.3 19.6 1.0 NE2 B:GLN90 4.4 42.8 1.0 CA A:GLU24 4.5 14.7 1.0 CZ B:ARG89 4.5 18.8 1.0 CB A:HIS28 4.6 19.1 1.0 OE1 A:GLU24 4.7 17.2 1.0 O A:SER21 4.9 16.4 1.0

A.Saeed, C.Betzel, H.Brognaro, P.Rajaiah Prabhu, B.Alves Franca, S.Mehmood, B.Khaliq, U.Ishaq, A.Akrem. Crystal Structure of Isoform Chitin Binding Protein From Iberis Umbellata L. (Iucbp III) To Be Published.