Chlorine in PDB 4lob: Crystal Structure of Polyprenyl Diphosphate Synthase A1S_2732 (Target Efi-509223) From Acinetobacter Baumannii

The structure of Crystal Structure of Polyprenyl Diphosphate Synthase A1S_2732 (Target Efi-509223) From Acinetobacter Baumannii, PDB code: 4lob was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, H.J.Imker, N.Al Obaidi, M.Stead, J.Love, C.D.Poulter, J.A.Gerlt, S.C.Almo, Enzyme Functioninitiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.50 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	144.245, 46.008, 49.286, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 26.6

The binding sites of Chlorine atom in the Crystal Structure of Polyprenyl Diphosphate Synthase A1S_2732 (Target Efi-509223) From Acinetobacter Baumannii (pdb code 4lob). 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 Polyprenyl Diphosphate Synthase A1S_2732 (Target Efi-509223) From Acinetobacter Baumannii, PDB code: 4lob:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Polyprenyl Diphosphate Synthase A1S_2732 (Target Efi-509223) From Acinetobacter Baumannii


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 Polyprenyl Diphosphate Synthase A1S_2732 (Target Efi-509223) From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:42.5 occ:1.00 NH1 A:ARG51 2.7 25.7 1.0 O A:HOH527 2.9 33.9 1.0 N A:ARG51 3.3 37.1 1.0 N A:MET50 3.5 27.9 1.0 CB A:ARG51 3.5 29.9 1.0 CA A:ARG49 3.7 44.3 1.0 CG A:ARG51 3.7 28.2 1.0 C A:ARG49 3.7 47.6 1.0 CD A:ARG51 3.8 25.9 1.0 CD2 A:HIS81 3.8 23.3 1.0 CZ A:ARG51 3.9 34.1 1.0 CA A:ARG51 4.0 32.8 1.0 O A:LYS48 4.1 58.5 1.0 CG A:MET50 4.1 60.2 1.0 CD A:PRO52 4.1 26.5 1.0 NE2 A:HIS81 4.2 35.5 1.0 NE A:ARG51 4.3 26.9 1.0 C A:MET50 4.3 58.1 1.0 CA A:MET50 4.3 46.5 1.0 CG A:HIS81 4.4 26.3 1.0 CB A:ARG49 4.4 41.9 1.0 O A:ARG49 4.5 41.2 1.0 N A:ARG49 4.8 54.7 1.0 CB A:MET50 4.8 36.1 1.0 C A:LYS48 4.8 85.9 1.0 CE1 A:HIS81 4.9 23.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Polyprenyl Diphosphate Synthase A1S_2732 (Target Efi-509223) From Acinetobacter Baumannii


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 Polyprenyl Diphosphate Synthase A1S_2732 (Target Efi-509223) From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:51.9 occ:1.00 OG A:SER0 2.8 59.6 0.5 ND2 A:ASN-5 3.0 53.4 1.0 O A:HOH526 3.1 42.9 1.0 NE A:ARG318 3.1 33.8 1.0 NH1 A:ARG318 3.2 29.8 1.0 CZ A:ARG318 3.6 29.4 1.0 O A:HOH546 3.6 38.5 1.0 CD1 A:LEU-9 3.7 47.3 1.0 CG A:ASN-5 3.8 60.9 1.0 OD1 A:ASN-5 3.8 45.6 1.0 CB A:SER0 4.0 39.7 0.5 CB A:SER0 4.0 49.7 0.5 CB A:ARG318 4.2 29.6 1.0 CG A:ARG318 4.2 41.5 1.0 CD A:ARG318 4.2 38.7 1.0 CG A:LEU-9 4.3 60.8 1.0 OG A:SER0 4.3 32.6 0.5 CA A:ARG318 4.8 30.9 1.0 CD2 A:LEU-9 4.9 53.1 1.0 NH2 A:ARG318 4.9 30.5 1.0 CD2 A:LEU321 4.9 39.3 1.0 O A:ARG318 5.0 35.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Polyprenyl Diphosphate Synthase A1S_2732 (Target Efi-509223) From Acinetobacter Baumannii


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 Polyprenyl Diphosphate Synthase A1S_2732 (Target Efi-509223) From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:61.5 occ:1.00 N A:ASP65 3.0 40.8 1.0 O A:HOH575 3.1 46.7 1.0 O A:HOH574 3.4 49.7 1.0 CB A:ASP65 3.6 68.7 1.0 CA A:LEU64 3.7 38.7 1.0 O A:ALA190 3.8 43.6 1.0 C A:LEU64 3.8 36.6 1.0 O A:ASP63 3.9 59.6 1.0 CA A:ASP65 3.9 55.8 1.0 CD1 A:LEU64 4.0 38.8 1.0 CA A:ALA190 4.0 40.1 1.0 C A:ALA190 4.3 42.7 1.0 CB A:ALA190 4.4 36.8 1.0 N A:LEU64 4.5 46.6 1.0 C A:ASP63 4.6 56.2 1.0 CB A:LEU64 4.7 43.8 1.0 CG A:LEU64 4.7 39.5 1.0 N A:ASN66 4.9 49.3 1.0 CG A:ASP65 5.0 99.3 1.0

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, H.J.Imker, N.Al Obaidi, M.Stead, J.Love, C.D.Poulter, J.A.Gerlt, S.C.Almo. Crystal Structure of Polyprenyl Diphosphate Synthase From Acinetobacter Baumannii To Be Published.