Chlorine in PDB 3lmm: Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35

The structure of Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35, PDB code: 3lmm was solved by F.Forouhar, S.Lew, J.Seetharaman, M.Mao, R.Xiao, C.Ciccosanti, W.A.Buchwald, M.Maglaqui, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomicsconsortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	147.306, 102.030, 164.515, 90.00, 116.00, 90.00
R / Rfree (%)	18.3 / 23.1

The structure of Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35 also contains other interesting chemical elements:

Cobalt

(Co)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35 (pdb code 3lmm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35, PDB code: 3lmm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35


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 the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl584 b:28.1 occ:1.00 N A:ALA358 3.2 12.5 1.0 CD A:PRO357 3.3 21.3 1.0 N A:PRO357 3.3 18.9 1.0 CA A:TYR356 3.3 16.9 1.0 C A:TYR356 3.4 20.4 1.0 CB A:MSE177 3.4 22.0 1.0 N A:MSE177 3.5 16.8 1.0 CB A:ALA358 3.6 11.6 1.0 CB A:ASP175 3.7 41.0 1.0 CB A:TYR356 3.8 21.1 1.0 CD A:PRO176 3.8 14.3 1.0 CA A:ASP175 3.9 38.4 1.0 C A:ASP175 3.9 31.1 1.0 N A:PRO176 4.0 22.6 1.0 CA A:MSE177 4.0 23.6 1.0 CG A:PRO176 4.0 10.4 1.0 CA A:ALA358 4.0 13.9 1.0 OD1 A:ASP175 4.0 48.1 1.0 CG A:ASP175 4.1 49.8 1.0 O A:TYR356 4.1 22.1 1.0 CA A:PRO357 4.1 22.1 1.0 C A:PRO357 4.2 19.6 1.0 CD1 A:TYR356 4.2 29.8 1.0 CB A:PRO357 4.3 23.3 1.0 O A:ARG355 4.3 25.9 1.0 CG A:PRO357 4.4 22.6 1.0 O A:ASP175 4.4 36.1 1.0 CG A:TYR356 4.5 19.6 1.0 C A:PRO176 4.5 20.2 1.0 N A:TYR356 4.6 16.5 1.0 C A:MSE177 4.6 27.7 1.0 N A:LEU359 4.6 12.1 1.0 N A:ALA178 4.6 31.6 1.0 CA A:PRO176 4.7 22.5 1.0 CG A:MSE177 4.7 32.9 1.0 C A:ALA358 4.9 17.6 1.0 C A:ARG355 4.9 24.2 1.0 CB A:PRO176 5.0 19.8 1.0 OD2 A:ASP175 5.0 55.6 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35


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 the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl585 b:71.2 occ:1.00 O A:ALA358 3.4 14.6 1.0 CB A:LEU362 3.8 5.2 1.0 O A:GLY216 3.9 23.6 1.0 CD1 A:LEU362 4.1 1.0 1.0 N A:LEU362 4.1 17.4 1.0 CA A:LEU362 4.2 12.5 1.0 C A:ALA358 4.2 17.6 1.0 NE1 A:TRP165 4.2 16.8 1.0 OD2 A:ASP361 4.3 31.2 1.0 CE2 A:TRP165 4.3 20.7 1.0 O A:ILE215 4.3 31.5 1.0 CG A:LEU362 4.4 3.1 1.0 C A:GLY216 4.4 24.2 1.0 OG A:SER225 4.4 20.7 1.0 CB A:ALA227 4.5 13.6 1.0 CZ2 A:TRP165 4.6 25.5 1.0 CA A:ALA358 4.6 13.9 1.0 CD1 A:TRP165 4.6 25.0 1.0 CB A:ALA358 4.7 11.6 1.0 CD2 A:LEU362 4.7 1.5 1.0 CD2 A:TRP165 4.7 18.4 1.0 CG A:TRP165 4.9 18.7 1.0 CB A:ASP361 4.9 15.3 1.0 C A:ASP361 5.0 20.8 1.0 N A:ALA217 5.0 22.5 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35


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 the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl586 b:58.1 occ:1.00 NE A:ARG298 3.2 44.2 1.0 CD A:ARG298 3.2 31.3 1.0 OD1 A:ASN279 3.7 31.4 1.0 CA A:ASN276 3.7 34.2 1.0 OD1 A:ASN276 3.9 77.6 1.0 O A:LEU275 3.9 23.4 1.0 CB A:ASN279 4.0 21.8 1.0 N A:ASN276 4.0 31.4 1.0 C A:LEU275 4.1 25.4 1.0 CG A:ASN279 4.3 21.5 1.0 CG1 A:VAL301 4.4 3.7 1.0 CB A:VAL301 4.4 13.7 1.0 CZ A:ARG298 4.4 45.8 1.0 CG2 A:VAL301 4.4 10.2 1.0 CG A:ARG298 4.4 19.5 1.0 CB A:ASN276 4.4 46.9 1.0 CA A:ARG298 4.6 19.4 1.0 CG A:ASN276 4.6 64.7 1.0 CB A:LEU275 4.7 12.5 1.0 CB A:ARG298 4.8 14.4 1.0 C A:ASN276 4.8 28.8 1.0 CG A:LEU275 4.9 9.4 1.0 NH1 A:ARG298 4.9 29.5 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35


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 the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl584 b:40.8 occ:1.00 CD B:PRO357 3.2 36.0 1.0 CA B:TYR356 3.3 42.6 1.0 N B:PRO357 3.4 39.1 1.0 CB B:MSE177 3.4 37.8 1.0 N B:ALA358 3.4 23.2 1.0 C B:TYR356 3.4 37.2 1.0 N B:MSE177 3.4 31.6 1.0 CB B:ASP175 3.7 50.5 1.0 CD B:PRO176 3.7 39.9 1.0 CB B:ALA358 3.7 12.6 1.0 CG B:PRO176 3.9 27.0 1.0 CB B:TYR356 3.9 42.0 1.0 CA B:MSE177 4.0 37.8 1.0 N B:PRO176 4.0 45.3 1.0 C B:ASP175 4.0 49.9 1.0 CA B:ASP175 4.0 52.4 1.0 CD1 B:TYR356 4.1 46.0 1.0 CA B:ALA358 4.2 17.5 1.0 CG B:ASP175 4.2 49.2 1.0 O B:TYR356 4.2 37.9 1.0 CA B:PRO357 4.3 35.7 1.0 C B:PRO357 4.3 31.9 1.0 OD1 B:ASP175 4.4 35.2 1.0 CG B:PRO357 4.4 31.4 1.0 O B:ARG355 4.4 35.1 1.0 CB B:PRO357 4.5 30.4 1.0 CG B:TYR356 4.5 37.3 1.0 N B:ALA178 4.5 38.1 1.0 C B:PRO176 4.5 35.4 1.0 N B:LEU359 4.6 23.8 1.0 N B:TYR356 4.6 49.8 1.0 O B:ASP175 4.6 59.5 1.0 CA B:PRO176 4.7 40.7 1.0 CG B:MSE177 4.7 59.0 1.0 C B:MSE177 4.7 37.6 1.0 OD2 B:ASP175 4.9 61.0 1.0 CB B:PRO176 4.9 31.8 1.0 C B:ARG355 4.9 47.6 1.0 C B:ALA358 5.0 24.4 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl584 b:38.0 occ:1.00 N C:MSE177 3.0 20.0 1.0 CB C:MSE177 3.3 21.1 1.0 CD C:PRO176 3.4 25.7 1.0 CB C:ASP175 3.4 39.9 1.0 N C:PRO176 3.4 29.1 1.0 C C:ASP175 3.4 31.9 1.0 CG C:PRO176 3.5 16.3 1.0 N C:ALA358 3.5 16.3 1.0 CB C:ALA358 3.6 14.1 1.0 CA C:ASP175 3.6 33.2 1.0 CA C:MSE177 3.6 15.8 1.0 CD C:PRO357 3.6 11.6 1.0 OD1 C:ASP175 3.7 45.8 1.0 N C:PRO357 3.8 19.9 1.0 CG C:ASP175 3.8 48.0 1.0 CA C:TYR356 3.9 27.4 1.0 N C:ALA178 3.9 16.7 1.0 O C:ASP175 3.9 32.8 1.0 C C:PRO176 3.9 24.4 1.0 C C:TYR356 4.0 23.4 1.0 CA C:PRO176 4.1 25.8 1.0 C C:MSE177 4.2 16.9 1.0 CA C:ALA358 4.2 12.0 1.0 CB C:TYR356 4.3 37.9 1.0 CB C:PRO176 4.4 22.5 1.0 CD1 C:TYR356 4.4 28.9 1.0 C C:PRO357 4.5 20.6 1.0 CA C:PRO357 4.6 19.4 1.0 CG C:MSE177 4.7 37.3 1.0 O C:TYR356 4.7 24.6 1.0 CB C:PRO357 4.7 16.4 1.0 CG C:PRO357 4.8 17.4 1.0 O C:ARG355 4.8 32.9 1.0 OD2 C:ASP175 4.8 50.8 1.0 N C:LEU359 4.8 14.8 1.0 CG C:TYR356 4.9 33.3 1.0 CB C:ALA178 4.9 24.7 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the DIP2311 Protein From Corynebacterium Diphtheriae, Northeast Structural Genomics Consortium Target CDR35 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl584 b:47.5 occ:1.00 CB D:MSE177 3.1 52.1 1.0 N D:MSE177 3.3 40.8 1.0 CD D:PRO357 3.4 34.3 1.0 CB D:ASP175 3.5 52.9 1.0 N D:ALA358 3.5 24.7 1.0 N D:PRO357 3.6 33.2 1.0 CA D:TYR356 3.6 36.9 1.0 C D:TYR356 3.6 37.6 1.0 CA D:MSE177 3.7 46.6 1.0 C D:ASP175 3.8 45.0 1.0 CB D:ALA358 3.8 11.4 1.0 CD D:PRO176 3.8 36.5 1.0 CA D:ASP175 3.8 47.7 1.0 OD1 D:ASP175 3.8 55.6 1.0 N D:PRO176 3.9 45.2 1.0 CG D:ASP175 3.9 55.1 1.0 CG D:PRO176 4.0 37.3 1.0 CB D:TYR356 4.1 42.1 1.0 CD1 D:TYR356 4.1 47.6 1.0 CA D:ALA358 4.2 21.8 1.0 O D:ASP175 4.2 44.9 1.0 O D:TYR356 4.3 43.0 1.0 C D:PRO176 4.4 45.0 1.0 CA D:PRO357 4.4 32.9 1.0 C D:PRO357 4.4 28.8 1.0 CG D:MSE177 4.4 67.8 1.0 N D:ALA178 4.5 49.9 1.0 C D:MSE177 4.5 47.2 1.0 CB D:PRO357 4.6 32.7 1.0 CG D:PRO357 4.6 36.3 1.0 CA D:PRO176 4.6 46.5 1.0 N D:LEU359 4.6 22.5 1.0 CG D:TYR356 4.6 49.9 1.0 O D:ARG355 4.7 42.0 1.0 OD2 D:ASP175 4.8 49.8 1.0 N D:TYR356 4.9 43.0 1.0 CB D:PRO176 4.9 44.8 1.0 C D:ALA358 5.0 26.2 1.0

F.Forouhar, S.Lew, J.Seetharaman, M.Mao, R.Xiao, C.Ciccosanti, W.A.Buchwald, M.Maglaqui, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong. Northeast Structural Genomics Consortium Target CDR35 To Be Published.