Chlorine in PDB 4rjt: Crystal Structure of Unliganded, Full Length Hugdh at pH 7.0

All present enzymatic activity of Crystal Structure of Unliganded, Full Length Hugdh at pH 7.0:
1.1.1.22;

The structure of Crystal Structure of Unliganded, Full Length Hugdh at pH 7.0, PDB code: 4rjt was solved by A.M.Sidlo, Z.A.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.40 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	176.980, 113.960, 97.120, 90.00, 116.91, 90.00
R / Rfree (%)	18.3 / 23.1

The binding sites of Chlorine atom in the Crystal Structure of Unliganded, Full Length Hugdh at pH 7.0 (pdb code 4rjt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Unliganded, Full Length Hugdh at pH 7.0, PDB code: 4rjt:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Unliganded, Full Length Hugdh at pH 7.0


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 Unliganded, Full Length Hugdh at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:0.3 occ:1.00 N A:ILE75 3.2 0.3 1.0 OD2 A:ASP76 3.3 0.7 1.0 N A:ASP76 3.4 0.0 1.0 CG A:ASP76 3.5 0.8 1.0 NH2 A:ARG115 3.5 0.0 1.0 O A:THR73 3.8 0.6 1.0 OD1 A:ASP76 3.8 0.7 1.0 CA A:ILE75 4.0 0.5 1.0 CB A:ILE75 4.0 0.8 1.0 CB A:ASP76 4.0 0.4 1.0 C A:ASN74 4.0 0.7 1.0 CA A:ASN74 4.1 0.4 1.0 OD1 A:ASN74 4.1 0.7 1.0 C A:ILE75 4.2 0.9 1.0 CA A:ASP76 4.3 0.1 1.0 CG1 A:ILE75 4.5 0.2 1.0 CZ A:ARG115 4.7 0.0 1.0 C A:THR73 4.7 0.1 1.0 N A:ASN74 4.9 0.8 1.0 CG A:ASN74 5.0 0.3 1.0 O A:ASN74 5.0 0.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Unliganded, Full Length Hugdh at pH 7.0


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 Unliganded, Full Length Hugdh at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:99.5 occ:1.00 NH1 B:ARG393 4.0 0.9 1.0 CE2 A:TYR96 4.0 0.3 1.0 CA B:GLY361 4.0 98.2 1.0 O B:MET358 4.1 87.8 1.0 CD2 A:TYR96 4.2 0.3 1.0 CZ A:TYR96 4.3 0.4 1.0 NH2 B:ARG393 4.3 1.0 1.0 CD1 B:LEU394 4.3 79.1 1.0 N B:GLY361 4.4 96.9 1.0 CZ B:ARG393 4.6 0.9 1.0 CG A:TYR96 4.7 0.2 1.0 CE1 A:TYR96 4.7 0.2 1.0 OH A:TYR96 4.7 0.1 1.0 CD1 A:TYR96 4.9 0.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Unliganded, Full Length Hugdh at pH 7.0


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 Unliganded, Full Length Hugdh at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:0.9 occ:1.00 OD2 B:ASP76 3.3 96.2 1.0 N B:ILE75 3.5 0.7 1.0 CG B:ASP76 3.5 92.8 1.0 NH2 B:ARG115 3.6 0.6 1.0 N B:ASP76 3.7 98.2 1.0 OD1 B:ASN74 3.9 0.8 1.0 O B:THR73 3.9 0.5 1.0 OD1 B:ASP76 4.0 86.1 1.0 CA B:ASN74 4.1 0.6 1.0 CB B:ASP76 4.1 90.5 1.0 C B:ASN74 4.1 1.0 1.0 CA B:ILE75 4.3 0.4 1.0 CB B:ILE75 4.4 0.1 1.0 CA B:ASP76 4.5 87.3 1.0 C B:ILE75 4.5 0.5 1.0 CG B:ASN74 4.7 0.8 1.0 C B:THR73 4.8 0.7 1.0 CZ B:ARG115 4.9 0.1 1.0 CG1 B:ILE75 4.9 98.5 1.0 N B:ASN74 5.0 0.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Unliganded, Full Length Hugdh at pH 7.0


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 Unliganded, Full Length Hugdh at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:92.9 occ:1.00 NH1 C:ARG393 3.8 97.3 1.0 NE2 C:GLN390 3.9 0.8 1.0 NH2 C:ARG393 4.0 87.1 1.0 CE2 B:TYR96 4.1 91.8 1.0 O C:MET358 4.1 69.7 1.0 CA C:GLY361 4.2 70.4 1.0 CD1 C:LEU394 4.3 61.4 1.0 CZ B:TYR96 4.3 0.2 1.0 CD2 B:TYR96 4.4 90.7 1.0 CZ C:ARG393 4.4 95.9 1.0 N C:GLY361 4.6 58.7 1.0 OH B:TYR96 4.7 93.3 1.0 CE1 B:TYR96 4.8 96.0 1.0 CG B:TYR96 4.8 84.5 1.0 CD C:GLN390 4.9 95.2 1.0 CG C:GLN390 4.9 0.1 1.0 CD1 B:TYR96 5.0 88.2 1.0

R.Kadirvelraj, G.S.Custer, N.D.Keul, N.C.Sennett, A.M.Sidlo, R.M.Walsh, Z.A.Wood. Hysteresis in Human Udp-Glucose Dehydrogenase Is Due to A Restrained Hexameric Structure That Favors Feedback Inhibition. Biochemistry V. 53 8043 2014.
ISSN: ISSN 0006-2960
PubMed: 25478983
DOI: 10.1021/BI500594X