Chlorine in PDB 5d7q: Crystal Structure of Human SIRT2 in Complex with Adpr and CHIC35

The structure of Crystal Structure of Human SIRT2 in Complex with Adpr and CHIC35, PDB code: 5d7q 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)	46.23 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.340, 78.170, 114.680, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 22.5

The structure of Crystal Structure of Human SIRT2 in Complex with Adpr and CHIC35 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 CHIC35 (pdb code 5d7q). 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 CHIC35, PDB code: 5d7q:
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 CHIC35


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 CHIC35 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:23.8 occ:1.00 CL1 A:4I5403 0.0 23.8 1.0 C1 A:4I5403 1.7 20.0 1.0 C2 A:4I5403 2.7 19.3 1.0 C6 A:4I5403 2.7 20.1 1.0 CD1 A:ILE232 3.4 25.9 1.0 CG1 A:ILE232 3.5 25.5 1.0 O A:HOH526 3.5 19.9 1.0 CD1 A:PHE234 3.7 23.0 1.0 O A:VAL233 3.7 23.2 1.0 CE1 A:PHE234 3.7 23.0 1.0 CB A:ILE232 3.8 23.9 1.0 CD1 A:PHE119 3.8 27.7 1.0 CG A:PHE119 4.0 27.8 1.0 C3 A:4I5403 4.0 19.6 1.0 C5 A:4I5403 4.0 19.2 1.0 CB A:PHE119 4.2 27.3 1.0 C A:VAL233 4.2 22.1 1.0 C A:ILE232 4.3 23.4 1.0 CE1 A:PHE119 4.3 28.1 1.0 N A:VAL233 4.3 22.1 1.0 C4 A:4I5403 4.5 19.2 1.0 O A:ILE232 4.6 23.4 1.0 CD2 A:PHE119 4.6 28.5 1.0 CA A:ILE232 4.6 23.6 1.0 N A:PHE234 4.7 21.5 1.0 CZ A:PHE119 4.9 28.4 1.0 CG2 A:ILE232 4.9 24.1 1.0 CA A:PHE234 4.9 21.4 1.0 CA A:VAL233 5.0 22.4 1.0 CG A:PHE234 5.0 22.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human SIRT2 in Complex with Adpr and CHIC35


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 CHIC35 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:68.0 occ:1.00 CL1 A:4I5404 0.0 68.0 1.0 C1 A:4I5404 1.7 60.4 1.0 C6 A:4I5404 2.7 59.6 1.0 C2 A:4I5404 2.7 59.8 1.0 CE1 A:PHE119 3.6 28.1 1.0 CE1 A:PHE131 3.7 27.5 1.0 CZ A:PHE119 3.8 28.4 1.0 C5 A:4I5404 4.0 59.3 1.0 C3 A:4I5404 4.0 58.5 1.0 CA A:ALA135 4.0 39.5 1.0 N A:ALA135 4.2 36.8 1.0 CB A:ALA135 4.2 39.7 1.0 CG A:LEU134 4.4 34.3 1.0 CD1 A:PHE131 4.4 26.7 1.0 CD2 A:LEU134 4.4 33.9 1.0 CZ A:PHE131 4.4 27.4 1.0 C4 A:4I5404 4.5 59.8 1.0 CD1 A:LEU138 4.5 46.7 1.0 C A:LEU134 4.6 36.3 1.0 CB A:LEU134 4.8 34.5 1.0 O A:PHE131 4.8 28.5 1.0 O A:LEU134 4.8 35.3 1.0 CD1 A:ILE232 4.9 25.9 1.0 CD1 A:PHE119 4.9 27.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human SIRT2 in Complex with Adpr and CHIC35


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 CHIC35 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:22.5 occ:1.00 CL1 B:4I5403 0.0 22.5 1.0 C1 B:4I5403 1.7 21.4 1.0 C2 B:4I5403 2.7 19.1 1.0 C6 B:4I5403 2.7 21.2 1.0 O B:HOH522 3.5 17.9 1.0 CG1 B:ILE232 3.6 26.2 1.0 CD1 B:ILE232 3.6 27.0 1.0 CD1 B:PHE119 3.6 25.6 1.0 O B:VAL233 3.8 22.1 1.0 CE1 B:PHE234 3.8 23.5 1.0 CD1 B:PHE234 3.8 22.8 1.0 CB B:ILE232 3.9 25.3 1.0 C3 B:4I5403 4.0 19.3 1.0 C5 B:4I5403 4.0 20.7 1.0 CG B:PHE119 4.0 24.8 1.0 CE1 B:PHE119 4.1 26.6 1.0 CB B:PHE119 4.3 23.8 1.0 C B:VAL233 4.4 22.3 1.0 C4 B:4I5403 4.5 19.8 1.0 C B:ILE232 4.5 23.9 1.0 N B:VAL233 4.5 23.4 1.0 CD2 B:PHE119 4.7 26.2 1.0 CZ B:PHE119 4.8 26.6 1.0 CA B:ILE232 4.8 24.6 1.0 O B:ILE232 4.8 24.0 1.0 N B:PHE234 5.0 21.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human SIRT2 in Complex with Adpr and CHIC35


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 CHIC35 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:67.3 occ:1.00 CL1 B:4I5404 0.0 67.3 1.0 C1 B:4I5404 1.7 62.8 1.0 C6 B:4I5404 2.7 62.9 1.0 C2 B:4I5404 2.7 61.4 1.0 CE1 B:PHE131 3.8 30.5 1.0 CA B:ALA135 3.8 43.7 1.0 CE1 B:PHE119 3.9 26.6 1.0 C5 B:4I5404 4.0 63.0 1.0 C3 B:4I5404 4.0 62.0 1.0 CB B:ALA135 4.1 43.6 1.0 N B:ALA135 4.1 40.6 1.0 CZ B:PHE119 4.2 26.6 1.0 CG B:LEU134 4.3 36.7 1.0 CD1 B:PHE131 4.3 30.8 1.0 CD2 B:LEU134 4.4 36.8 1.0 C4 B:4I5404 4.5 63.1 1.0 CZ B:PHE131 4.5 31.0 1.0 C B:LEU134 4.6 38.1 1.0 CD1 B:LEU138 4.6 55.3 1.0 O B:LEU134 4.8 37.6 1.0 O B:PHE131 4.8 32.4 1.0 CB B:LEU134 4.9 37.0 1.0 CD1 B:ILE232 4.9 27.0 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