Chlorine in PDB 5d7p: Crystal Structure of Human SIRT2 in Complex with Adpr and Ex-243

The structure of Crystal Structure of Human SIRT2 in Complex with Adpr and Ex-243, PDB code: 5d7p was solved by T.Rumpf, S.Gerhardt, O.Einsle, M.Jung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.41 / 1.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.496, 77.578, 114.206, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.4

The structure of Crystal Structure of Human SIRT2 in Complex with Adpr and Ex-243 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human SIRT2 in Complex with Adpr and Ex-243 (pdb code 5d7p). 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 Human SIRT2 in Complex with Adpr and Ex-243, PDB code: 5d7p:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human SIRT2 in Complex with Adpr and Ex-243


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 Human SIRT2 in Complex with Adpr and Ex-243 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:53.3 occ:1.00 CL A:OCZ403 0.0 53.3 1.0 CAB A:OCZ403 1.7 47.0 1.0 CAA A:OCZ403 2.7 45.0 1.0 CAC A:OCZ403 2.7 47.3 1.0 CE1 A:PHE131 3.5 35.8 1.0 CZ A:PHE131 3.8 35.5 1.0 CB A:ALA135 3.8 50.5 1.0 CA A:ALA135 3.9 49.0 1.0 CAF A:OCZ403 4.0 45.3 1.0 CAD A:OCZ403 4.0 48.8 1.0 CD1 A:ILE232 4.1 27.3 1.0 CE1 A:PHE119 4.4 34.2 1.0 CD1 A:PHE131 4.4 34.5 1.0 N A:ALA135 4.4 47.1 1.0 CAE A:OCZ403 4.5 47.1 1.0 CD1 A:LEU138 4.6 55.3 1.0 CB A:LEU138 4.9 54.9 1.0 CE2 A:PHE131 4.9 36.7 1.0 CZ A:PHE119 4.9 33.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human SIRT2 in Complex with Adpr and Ex-243


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 Human SIRT2 in Complex with Adpr and Ex-243 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:26.7 occ:1.00 CL A:OCZ404 0.0 26.7 1.0 CAB A:OCZ404 1.7 25.1 1.0 CAA A:OCZ404 2.7 24.9 1.0 CAC A:OCZ404 2.7 24.5 1.0 CD1 A:ILE232 3.5 27.3 1.0 CD1 A:PHE119 3.5 32.4 1.0 O A:HOH537 3.5 21.0 1.0 CG1 A:ILE232 3.7 26.3 1.0 CE1 A:PHE234 3.7 25.0 1.0 CD1 A:PHE234 3.7 25.0 1.0 O A:VAL233 3.8 24.1 1.0 CG A:PHE119 3.8 31.8 1.0 CB A:ILE232 4.0 26.1 1.0 CAD A:OCZ404 4.0 23.6 1.0 CAF A:OCZ404 4.0 23.8 1.0 CE1 A:PHE119 4.0 34.2 1.0 CB A:PHE119 4.1 29.4 1.0 C A:VAL233 4.5 23.3 1.0 CAE A:OCZ404 4.5 22.3 1.0 C A:ILE232 4.6 25.9 1.0 CD2 A:PHE119 4.6 32.6 1.0 N A:VAL233 4.6 24.7 1.0 CZ A:PHE119 4.8 33.5 1.0 O A:ILE232 4.8 26.7 1.0 CA A:ILE232 4.9 26.5 1.0 CZ A:PHE234 5.0 25.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human SIRT2 in Complex with Adpr and Ex-243


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 Human SIRT2 in Complex with Adpr and Ex-243 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:52.7 occ:1.00 CL B:OCZ403 0.0 52.7 1.0 CAB B:OCZ403 1.7 50.2 1.0 CAA B:OCZ403 2.7 47.2 1.0 CAC B:OCZ403 2.7 48.6 1.0 CE1 B:PHE131 3.5 30.3 1.0 CA B:ALA135 3.6 41.3 1.0 CB B:ALA135 3.7 40.9 1.0 CZ B:PHE131 3.8 30.0 1.0 CAF B:OCZ403 4.0 47.4 1.0 CAD B:OCZ403 4.0 49.2 1.0 CD1 B:ILE232 4.2 26.9 1.0 N B:ALA135 4.2 38.9 1.0 CD1 B:PHE131 4.4 29.8 1.0 CAE B:OCZ403 4.5 48.3 1.0 CE1 B:PHE119 4.5 29.0 1.0 CD1 B:LEU138 4.6 51.3 1.0 C B:LEU134 4.8 39.3 1.0 O B:PHE131 4.8 34.1 1.0 C B:ALA135 4.9 45.4 1.0 CE2 B:PHE131 4.9 31.1 1.0 CB B:LEU138 4.9 52.6 1.0 O B:LEU134 4.9 40.1 1.0 CZ B:PHE119 5.0 29.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human SIRT2 in Complex with Adpr and Ex-243


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 Human SIRT2 in Complex with Adpr and Ex-243 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:27.4 occ:1.00 CL B:OCZ404 0.0 27.4 1.0 CAB B:OCZ404 1.7 25.3 1.0 CAA B:OCZ404 2.7 24.9 1.0 CAC B:OCZ404 2.7 24.1 1.0 O B:HOH507 3.6 23.5 1.0 CG1 B:ILE232 3.6 26.3 1.0 CD1 B:ILE232 3.6 26.9 1.0 CD1 B:PHE119 3.6 27.6 1.0 CE1 B:PHE234 3.8 24.6 1.0 CG B:PHE119 3.8 27.2 1.0 O B:VAL233 3.8 21.0 1.0 CD1 B:PHE234 3.8 23.1 1.0 CB B:ILE232 4.0 25.6 1.0 CAD B:OCZ404 4.0 24.0 1.0 CAF B:OCZ404 4.0 24.3 1.0 CE1 B:PHE119 4.1 29.0 1.0 CB B:PHE119 4.2 25.7 1.0 CD2 B:PHE119 4.3 28.4 1.0 C B:VAL233 4.4 20.8 1.0 CAE B:OCZ404 4.5 24.2 1.0 C B:ILE232 4.6 24.2 1.0 CZ B:PHE119 4.6 29.2 1.0 N B:VAL233 4.6 22.3 1.0 CE2 B:PHE119 4.7 29.5 1.0 CA B:ILE232 4.9 24.9 1.0 O B:ILE232 4.9 24.3 1.0

T.Rumpf, S.Gerhardt, O.Einsle, M.Jung. Seeding For Sirtuins: Microseed Matrix Seeding to Obtain Crystals of Human SIRT3 and SIRT2 Suitable For Soaking. Acta Crystallogr.,Sect.F V. 71 1498 2015.
ISSN: ESSN 2053-230X
PubMed: 26625292
DOI: 10.1107/S2053230X15019986