Chlorine in PDB 6tep: Crystal Structure of A Galactokinase From Bifidobacterium Infantis in Complex with Adp

The structure of Crystal Structure of A Galactokinase From Bifidobacterium Infantis in Complex with Adp, PDB code: 6tep was solved by T.Keenan, F.Parmeggiani, C.Q.Fontenelle, J.Malassis, J.Vendeville, W.A.Offen, P.Both, K.Huang, A.Marchesi, A.Heyam, C.Young, S.Charnock, G.J.Davies, B.Linclau, S.L.Flitsch, M.A.Fascione, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.58 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.272, 164.495, 115.873, 90.00, 95.80, 90.00
R / Rfree (%)	18.4 / 24.5

The structure of Crystal Structure of A Galactokinase From Bifidobacterium Infantis in Complex with Adp also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Galactokinase From Bifidobacterium Infantis in Complex with Adp (pdb code 6tep). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of A Galactokinase From Bifidobacterium Infantis in Complex with Adp, PDB code: 6tep:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of A Galactokinase From Bifidobacterium Infantis in Complex with Adp


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 A Galactokinase From Bifidobacterium Infantis in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:21.1 occ:1.00 OG1 A:THR254 3.1 18.0 1.0 NE A:ARG299 3.2 14.8 1.0 NH2 A:ARG299 3.5 17.4 1.0 NH1 A:ARG251 3.6 19.2 1.0 CB A:THR254 3.7 20.4 1.0 CG A:GLN250 3.7 26.8 1.0 CZ A:ARG299 3.8 15.3 1.0 O A:GLN250 3.8 23.8 1.0 CD A:ARG251 3.8 18.7 1.0 C A:GLN250 4.0 23.4 1.0 CA A:ARG251 4.0 16.0 1.0 N A:ARG251 4.0 19.8 1.0 CG A:ARG299 4.1 15.9 1.0 CD A:ARG299 4.2 14.5 1.0 CG2 A:THR254 4.2 18.1 1.0 CZ A:ARG251 4.3 18.2 1.0 CG2 A:THR295 4.3 18.1 1.0 NE A:ARG251 4.4 17.8 1.0 CB A:GLN250 4.4 20.5 1.0 OE1 A:GLN250 4.5 36.5 1.0 CD A:GLN250 4.6 39.2 1.0 CG A:ARG251 4.7 15.6 1.0 CA A:GLN250 4.8 23.4 1.0 CB A:ARG251 4.9 17.6 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of A Galactokinase From Bifidobacterium Infantis in Complex with Adp


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 A Galactokinase From Bifidobacterium Infantis in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:57.0 occ:1.00 O A:HOH847 2.5 36.0 1.0 NH1 A:ARG115 3.2 21.2 1.0 OD1 A:ASP93 3.3 34.7 1.0 CG A:ASP93 3.8 30.2 1.0 CG2 A:THR74 3.9 27.6 1.0 CB A:ASP93 4.0 23.8 1.0 CZ A:ARG115 4.2 18.5 1.0 CA A:ASP93 4.3 24.1 1.0 NH2 A:ARG115 4.4 23.2 1.0 O A:HOH857 4.4 29.3 1.0 OD2 A:ASP93 4.7 46.4 1.0 CB A:THR74 5.0 24.2 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of A Galactokinase From Bifidobacterium Infantis in Complex with Adp


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 A Galactokinase From Bifidobacterium Infantis in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl506 b:20.0 occ:1.00 OG1 D:THR254 3.1 23.8 1.0 NE D:ARG299 3.3 18.4 1.0 NH2 D:ARG299 3.4 18.9 1.0 NH1 D:ARG251 3.5 27.2 1.0 CD D:ARG251 3.6 18.7 1.0 CB D:THR254 3.7 17.6 1.0 O D:GLN250 3.9 27.4 1.0 CZ D:ARG299 3.9 16.6 1.0 CG D:GLN250 3.9 30.5 0.8 CA D:ARG251 4.0 20.3 1.0 C D:GLN250 4.1 23.8 1.0 NE D:ARG251 4.1 17.0 1.0 CZ D:ARG251 4.1 21.1 1.0 N D:ARG251 4.1 24.4 1.0 CG2 D:THR254 4.2 17.2 1.0 CG D:ARG299 4.2 20.6 1.0 CD D:ARG299 4.4 19.7 1.0 CG2 D:THR295 4.5 23.6 1.0 CG D:ARG251 4.5 16.4 1.0 CB D:GLN250 4.5 25.2 1.0 O D:HOH826 4.6 33.8 1.0 CB D:ARG251 4.8 19.4 1.0 NE2 D:GLN250 4.9 24.1 0.5 CA D:GLN250 5.0 27.7 1.0 CD D:GLN250 5.0 33.8 0.8

Chlorine binding site 4 out of 5 in the Crystal Structure of A Galactokinase From Bifidobacterium Infantis in Complex with Adp


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 A Galactokinase From Bifidobacterium Infantis in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl508 b:16.9 occ:1.00 OG1 C:THR254 3.1 18.3 1.0 NE C:ARG299 3.2 14.3 1.0 NE2 C:GLN250 3.3 36.0 0.5 NH1 C:ARG251 3.4 19.2 1.0 NH2 C:ARG299 3.4 13.9 1.0 O C:GLN250 3.6 17.8 0.5 CD C:ARG251 3.6 14.1 1.0 CB C:THR254 3.7 15.1 1.0 CG C:GLN250 3.7 24.6 0.5 CZ C:ARG299 3.8 14.2 1.0 CG C:GLN250 3.9 30.1 0.5 O C:GLN250 4.0 16.1 0.5 CA C:ARG251 4.0 14.5 1.0 C C:GLN250 4.0 18.1 0.5 CZ C:ARG251 4.1 17.9 1.0 CG2 C:THR254 4.1 16.8 1.0 NE C:ARG251 4.1 15.5 1.0 CD C:GLN250 4.1 37.7 0.5 C C:GLN250 4.2 16.9 0.5 N C:ARG251 4.2 15.8 1.0 CG C:ARG299 4.2 17.7 1.0 CD C:ARG299 4.3 15.6 1.0 NE2 C:GLN250 4.4 21.6 0.5 CG2 C:THR295 4.4 22.2 1.0 CG C:ARG251 4.5 14.1 1.0 CB C:GLN250 4.6 22.0 0.5 CD C:GLN250 4.6 23.8 0.5 CB C:GLN250 4.7 25.8 0.5 CB C:ARG251 4.8 13.6 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of A Galactokinase From Bifidobacterium Infantis in Complex with Adp


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 A Galactokinase From Bifidobacterium Infantis in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl510 b:22.2 occ:1.00 OG1 B:THR254 3.0 20.7 1.0 NE B:ARG299 3.2 15.9 1.0 NH2 B:ARG299 3.5 20.2 1.0 NH1 B:ARG251 3.6 25.6 1.0 CD B:ARG251 3.6 20.4 1.0 CB B:THR254 3.6 18.8 1.0 O B:GLN250 3.7 30.1 1.0 CG B:GLN250 3.8 32.0 1.0 CZ B:ARG299 3.9 17.3 1.0 CA B:ARG251 3.9 21.2 1.0 C B:GLN250 3.9 29.6 1.0 N B:ARG251 3.9 28.7 1.0 CG2 B:THR254 4.1 20.2 1.0 CG B:ARG299 4.1 14.8 1.0 CZ B:ARG251 4.2 16.5 1.0 NE B:ARG251 4.2 19.2 1.0 CD B:ARG299 4.2 15.9 1.0 CG2 B:THR295 4.3 18.3 1.0 CB B:GLN250 4.3 37.3 1.0 NE2 B:GLN250 4.5 39.4 1.0 CG B:ARG251 4.5 18.2 1.0 CD B:GLN250 4.7 50.4 1.0 CB B:ARG251 4.7 20.8 1.0 CA B:GLN250 4.8 34.0 1.0 C B:ARG251 4.9 20.7 1.0 O B:ARG251 5.0 19.4 1.0

T.Keenan, F.Parmeggiani, C.Q.Fontenelle, J.Malassis, J.Vendeville, W.A.Offen, P.Both, K.Huang, A.Marchesi, A.Heyam, G.J.Davies, B.Linclau, S.L.Flitsch, M.A.Fascione. Substrate Promiscuity of Wild-Type Sugar Kinases: Chemo-Enzymatic Synthesis of Multi-Fluorinated Monosaccharide-1-Phosphates. To Be Published.