Chlorine in PDB 3d6k: The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae

The structure of The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae, PDB code: 3d6k was solved by K.Tan, R.Zhang, E.Duggan, S.Clancy, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.68 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.248, 56.081, 173.592, 90.00, 102.47, 90.00
R / Rfree (%)	19 / 24.1

The binding sites of Chlorine atom in the The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae (pdb code 3d6k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae, PDB code: 3d6k:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl421 b:36.9 occ:1.00 O A:HOH630 2.7 42.6 1.0 N A:ASN245 3.1 32.0 1.0 O A:HOH605 3.2 34.4 1.0 O A:HOH586 3.3 43.5 1.0 C A:ASN243 3.4 34.1 1.0 N A:PRO244 3.5 34.0 1.0 CB A:ASN245 3.5 31.4 1.0 CD A:PRO244 3.6 33.8 1.0 CA A:ASN243 3.7 35.0 1.0 CA A:ASN245 3.7 32.7 1.0 O A:ASN243 3.8 33.3 1.0 CG A:ASN245 4.1 31.5 1.0 CG A:PRO244 4.2 34.5 1.0 N A:ARG246 4.2 33.0 1.0 C A:PRO244 4.2 33.3 1.0 C A:ASN245 4.2 32.9 1.0 OD1 A:ASN245 4.3 33.7 1.0 CA A:PRO244 4.4 33.7 1.0 OD1 A:ASP118 4.4 37.7 1.0 OD2 A:ASP118 4.4 38.8 1.0 O A:HOH453 4.4 22.4 1.0 CB A:ASN243 4.5 35.4 1.0 CG A:ASP118 4.6 37.5 1.0 O A:GLY242 4.7 36.4 1.0 O A:HOH616 4.7 45.3 1.0 N A:ASN243 4.8 34.5 1.0 ND2 A:ASN245 4.9 24.2 1.0 O A:HOH633 4.9 47.1 1.0 OD1 A:ASN243 4.9 37.5 1.0 CB A:PRO244 4.9 33.8 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl421 b:43.7 occ:1.00 O B:HOH438 2.9 34.4 1.0 N B:ASN245 3.2 31.9 1.0 C B:ASN243 3.3 32.9 1.0 O B:ASN243 3.6 31.9 1.0 CA B:ASN243 3.6 33.5 1.0 N B:PRO244 3.6 32.3 1.0 CB B:ASN245 3.7 32.5 1.0 CA B:ASN245 3.8 32.8 1.0 O B:HOH466 3.9 29.3 1.0 N B:ARG246 3.9 31.8 1.0 CD B:PRO244 4.0 32.1 1.0 C B:ASN245 4.0 32.3 1.0 CB B:ASN243 4.2 33.5 1.0 C B:PRO244 4.2 32.2 1.0 CG B:ASN245 4.3 31.2 1.0 OD1 B:ASN245 4.4 32.4 1.0 CG B:PRO244 4.4 31.4 1.0 CA B:PRO244 4.5 32.0 1.0 OD2 B:ASP118 4.5 29.2 1.0 O B:HOH551 4.6 35.3 1.0 CA B:ARG246 4.8 32.0 1.0 O B:GLY242 4.8 36.6 1.0 NH1 B:ARG212 4.8 24.5 1.0 CG B:ASP118 4.9 30.3 1.0 N B:ASN243 4.9 34.0 1.0 O B:ASN245 4.9 33.5 1.0 CB B:ARG246 4.9 31.7 1.0 OD1 B:ASN243 4.9 31.5 1.0 OD1 B:ASP118 5.0 31.4 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl421 b:40.0 occ:1.00 O C:HOH527 3.0 27.7 1.0 N C:ASN245 3.2 30.1 1.0 C C:ASN243 3.3 32.8 1.0 N C:PRO244 3.5 33.0 1.0 CA C:ASN243 3.6 33.2 1.0 CD C:PRO244 3.7 33.0 1.0 O C:ASN243 3.7 30.6 1.0 CB C:ASN245 3.8 31.1 1.0 CA C:ASN245 3.9 31.4 1.0 O C:HOH577 4.0 50.8 1.0 N C:ARG246 4.1 30.1 1.0 C C:PRO244 4.2 31.9 1.0 CB C:ASN243 4.2 34.0 1.0 C C:ASN245 4.2 30.7 1.0 O C:HOH455 4.2 30.8 1.0 CG C:ASN245 4.3 32.3 1.0 CG C:PRO244 4.3 34.1 1.0 OD2 C:ASP118 4.3 38.9 1.0 CA C:PRO244 4.3 32.8 1.0 ND2 C:ASN245 4.4 29.9 1.0 O C:HOH585 4.4 49.8 1.0 OD1 C:ASN243 4.7 37.1 1.0 N C:ASN243 4.8 33.9 1.0 O C:GLY242 4.9 33.0 1.0 CG C:ASP118 5.0 37.6 1.0 CG C:ASN243 5.0 34.3 1.0 OD1 C:ASN245 5.0 33.0 1.0 CA C:ARG246 5.0 30.8 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl421 b:42.7 occ:1.00 O D:HOH436 2.8 31.2 1.0 O D:HOH486 2.8 57.1 1.0 O D:HOH491 2.9 40.4 1.0 N D:ASN245 3.3 29.8 1.0 C D:ASN243 3.4 31.8 1.0 N D:PRO244 3.6 31.9 1.0 CA D:ASN243 3.6 31.7 1.0 CD D:PRO244 3.6 31.5 1.0 CB D:ASN245 3.7 30.0 1.0 O D:ASN243 3.8 30.9 1.0 CA D:ASN245 3.9 30.9 1.0 O D:HOH459 4.0 30.5 1.0 N D:ARG246 4.1 30.8 1.0 OD2 D:ASP118 4.1 37.9 1.0 C D:ASN245 4.2 30.1 1.0 CB D:ASN243 4.2 32.1 1.0 CG D:ASN245 4.2 31.4 1.0 OD1 D:ASN245 4.3 34.1 1.0 C D:PRO244 4.3 31.2 1.0 CG D:PRO244 4.4 31.1 1.0 CA D:PRO244 4.5 31.0 1.0 CG D:ASP118 4.6 35.2 1.0 OD1 D:ASP118 4.7 35.1 1.0 O D:GLY242 4.7 31.2 1.0 N D:ASN243 4.8 31.7 1.0 CA D:ARG246 4.9 30.5 1.0 NH1 D:ARG212 4.9 24.8 1.0 O D:ASN245 5.0 31.4 1.0

K.Tan, R.Zhang, E.Duggan, S.Clancy, A.Joachimiak. The Crystal Structure of A Putative Aminotransferase From Corynebacterium Diphtheriae To Be Published.