Chlorine in PDB 6d6j: Crystal Structure of Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1

The structure of Crystal Structure of Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1, PDB code: 6d6j was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.75 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.510, 56.480, 83.300, 90.00, 90.00, 90.00
R / Rfree (%)	12.6 / 14

The structure of Crystal Structure of Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1 (pdb code 6d6j). 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 Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1, PDB code: 6d6j:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1


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 Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:44.9 occ:1.00 O A:HOH462 3.3 26.2 1.0 O A:HOH353 3.4 36.5 1.0 NH1 A:ARG66 3.5 13.5 1.0 CD2 A:LEU70 3.6 9.5 1.0 CG A:LEU70 3.8 7.9 1.0 CD A:ARG66 4.0 8.5 1.0 N A:LEU70 4.1 5.6 1.0 CD1 A:PHE19 4.2 10.0 1.0 CA A:LEU70 4.2 6.2 1.0 C A:LYS69 4.2 5.3 1.0 CB A:LYS69 4.3 6.5 1.0 O A:LYS69 4.3 6.1 1.0 CZ A:ARG66 4.5 12.0 1.0 CB A:LEU70 4.6 6.7 1.0 CG A:PHE19 4.7 9.7 1.0 CE1 A:PHE19 4.7 9.9 1.0 NE A:ARG66 4.8 9.2 1.0 CB A:PHE19 4.8 9.8 1.0 CA A:LYS69 4.9 5.6 1.0 O A:ARG66 4.9 5.9 1.0 CB A:ALA73 5.0 8.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1


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 Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:31.0 occ:0.83 NZ A:LYS43 3.5 12.5 1.0 O A:ASP21 3.6 11.1 1.0 C A:ASP21 3.6 10.9 1.0 N A:LYS22 3.9 11.5 1.0 CG A:GLU20 3.9 12.4 1.0 OE2 A:GLU20 4.0 14.3 1.0 CA A:ASP21 4.1 10.7 1.0 CD A:GLU20 4.2 13.8 1.0 CA A:LYS22 4.2 12.9 1.0 O A:HOH384 4.4 18.0 0.5 N A:ASP21 4.6 9.4 1.0 C A:GLU20 4.9 9.8 1.0 CE A:LYS43 4.9 11.5 1.0 O A:GLU20 5.0 11.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1


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 Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:26.7 occ:0.76 O A:HOH434 2.4 30.2 1.0 O A:HOH398 2.9 32.7 1.0 ND2 A:ASN62 3.3 13.0 1.0 CA A:LEU59 3.6 6.4 1.0 CD1 A:LEU59 3.8 11.4 1.0 CG A:ASN23 3.8 14.6 1.0 ND2 A:ASN23 3.9 15.6 1.0 O A:HOH438 4.0 42.2 1.0 N A:LEU59 4.0 5.7 1.0 CB A:ASN62 4.1 9.2 1.0 CB A:LEU59 4.1 8.3 1.0 CB A:ASN23 4.1 12.7 1.0 O A:HOH430 4.1 24.9 1.0 CG A:GLU58 4.1 15.0 1.0 OD1 A:ASN23 4.1 15.3 1.0 O A:GLU58 4.2 6.5 1.0 CG A:ASN62 4.2 12.0 1.0 C A:GLU58 4.3 6.6 1.0 O A:HOH402 4.4 25.6 1.0 CD A:GLU58 4.5 19.9 1.0 CG A:LEU59 4.6 10.1 1.0 OE2 A:GLU58 4.6 22.6 1.0 O A:HOH404 4.8 23.9 0.5 C A:LEU59 4.8 5.6 1.0 CB A:GLU58 4.9 10.4 1.0 O A:LEU59 5.0 5.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1


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 Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:17.9 occ:1.00 O B:HOH432 2.4 29.7 1.0 O B:HOH429 3.0 20.8 1.0 NH1 B:ARG66 3.2 8.0 1.0 CA B:LEU70 3.6 7.0 1.0 N B:LEU70 3.8 6.1 1.0 O B:HOH498 3.9 47.6 1.0 CD1 B:LEU70 3.9 9.2 1.0 CD1 B:PHE19 4.0 7.9 1.0 CD B:ARG66 4.0 7.7 1.0 C B:LYS69 4.0 6.0 1.0 CB B:LEU70 4.0 8.0 1.0 O B:LYS69 4.2 7.3 1.0 CB B:ALA73 4.2 10.2 1.0 CZ B:ARG66 4.3 7.6 1.0 CB B:LYS69 4.4 6.4 1.0 O B:HOH324 4.4 25.0 1.0 O B:HOH404 4.5 17.9 1.0 CG B:PHE19 4.5 7.7 1.0 O B:HOH465 4.5 45.7 1.0 CE1 B:PHE19 4.6 8.2 1.0 NE B:ARG66 4.6 7.4 1.0 CB B:PHE19 4.6 8.0 1.0 CG B:LEU70 4.7 8.8 1.0 O B:HOH419 4.7 36.3 1.0 O B:ARG66 4.9 6.1 1.0 CA B:LYS69 4.9 6.0 1.0 C B:LEU70 5.0 7.1 1.0

J.Abendroth, P.S.Horanyi, D.D.Lorimer, T.E.Edwards. Crystal Structure of Hit Family Hydrolase From Legionella Pneumophila Philadelphia 1 To Be Published.