Chlorine in PDB 6c58: Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound

All present enzymatic activity of Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound:
1.1.1.22;

The structure of Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound, PDB code: 6c58 was solved by P.G.Gross, J.Fallah, Z.A.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.29 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	93.520, 194.990, 109.540, 90.00, 110.71, 90.00
R / Rfree (%)	20.9 / 24.4

The binding sites of Chlorine atom in the Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound (pdb code 6c58). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound, PDB code: 6c58:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:56.5 occ:1.00 O A:MET358 3.8 30.6 1.0 NE2 A:GLN390 4.0 63.8 1.0 NH2 A:ARG393 4.0 60.2 1.0 CA A:GLY361 4.3 37.0 1.0 N A:GLY361 4.4 37.3 1.0 CD1 A:LEU394 4.5 34.6 1.0 CE1 C:TYR96 4.6 38.0 1.0 O A:ASP359 4.6 37.1 1.0 CD1 C:TYR96 4.6 36.6 1.0 NH1 A:ARG393 4.6 64.3 1.0 CD A:GLN390 4.7 63.7 1.0 CZ A:ARG393 4.8 63.3 1.0 CZ C:TYR96 4.8 43.6 1.0 CG A:GLN390 4.9 61.1 1.0 C A:ASP359 4.9 36.6 1.0 CG C:TYR96 4.9 38.7 1.0 C A:MET358 5.0 26.5 1.0

Chlorine binding site 2 out of 3 in the Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:75.7 occ:1.00 NE2 B:GLN390 3.9 78.0 1.0 O B:MET358 4.0 45.0 1.0 CA B:GLY361 4.2 45.9 1.0 NH1 B:ARG393 4.3 68.9 1.0 N B:GLY361 4.4 40.0 1.0 CE1 F:TYR96 4.5 67.4 1.0 CD1 B:LEU394 4.5 46.5 1.0 NH2 B:ARG393 4.6 65.4 1.0 CZ F:TYR96 4.6 67.7 1.0 CD1 F:TYR96 4.8 65.7 1.0 O B:ASP359 4.8 48.5 1.0 OH F:TYR96 4.9 70.2 1.0 CZ B:ARG393 4.9 66.5 1.0

Chlorine binding site 3 out of 3 in the Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Udp-Glucose Dehydrogenase A225L Substitutuion with Udp-Xylose Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:70.1 occ:1.00 O D:MET358 3.5 41.2 1.0 NE2 D:GLN390 3.7 55.5 1.0 NH2 D:ARG393 4.0 57.2 1.0 N D:GLY361 4.1 35.4 1.0 O D:ASP359 4.1 39.7 1.0 CA D:GLY361 4.1 34.6 1.0 CE1 B:TYR96 4.3 54.2 1.0 CD1 B:TYR96 4.3 52.9 1.0 C D:ASP359 4.4 38.7 1.0 CZ B:TYR96 4.5 53.4 1.0 CG B:TYR96 4.6 49.1 1.0 CA D:ASP359 4.7 43.0 1.0 C D:MET358 4.7 36.2 1.0 CD1 D:LEU394 4.7 34.8 1.0 CE2 B:TYR96 4.8 49.8 1.0 CD2 B:TYR96 4.8 50.2 1.0 C D:GLU360 4.8 36.0 1.0 CD D:GLN390 4.9 55.0 1.0

P.G.Gross, Z.A.Wood. The A225L Substitution of Hugdh Alters Structure and Function To Be Published.