Chlorine in PDB 3ukh: Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Non-Reduced)

All present enzymatic activity of Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Non-Reduced):
5.4.99.9;

The structure of Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Non-Reduced), PDB code: 3ukh was solved by K.E.Van Straaten, D.A.R.Sanders, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.55 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	71.967, 129.262, 173.885, 89.87, 84.64, 81.21
R / Rfree (%)	22.2 / 26.4

The binding sites of Chlorine atom in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Non-Reduced) (pdb code 3ukh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Non-Reduced), PDB code: 3ukh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Non-Reduced)


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 Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Non-Reduced) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl522 b:0.1 occ:1.00 N A:PHE106 2.8 44.7 1.0 O4 A:GDU521 2.8 79.2 0.5 O A:HOH944 3.0 51.6 1.0 N3 A:GDU521 3.1 83.4 0.5 CD1 A:TYR104 3.1 73.3 1.0 CA A:PRO105 3.3 65.8 1.0 C4 A:GDU521 3.3 81.4 0.5 C A:PRO105 3.5 56.4 1.0 CE1 A:TYR104 3.5 86.0 1.0 OE1 A:GLN107 3.7 87.0 1.0 CB A:PHE106 3.7 49.4 1.0 CA A:PHE106 3.8 54.5 1.0 CB A:PRO105 3.8 68.6 1.0 CG A:TYR104 4.0 79.4 1.0 C2 A:GDU521 4.2 67.8 0.5 CE2 A:PHE158 4.2 65.7 1.0 CA A:TYR104 4.4 55.4 1.0 CB A:TYR104 4.4 77.0 1.0 N A:PRO105 4.6 70.2 1.0 O2 A:GDU521 4.6 54.2 0.5 C5 A:GDU521 4.6 72.0 0.5 CZ A:TYR104 4.6 92.9 1.0 O A:PRO105 4.7 62.7 1.0 CD A:GLN107 4.9 77.7 1.0 CD2 A:TYR104 4.9 67.6 1.0 CZ A:PHE158 5.0 62.5 1.0 C A:PHE106 5.0 70.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Non-Reduced)


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 Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Non-Reduced) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:99.4 occ:1.00 N B:THR171 3.1 45.6 1.0 OG1 B:THR171 3.3 59.4 1.0 O B:ARG160 3.4 60.0 1.0 CG2 B:THR171 3.5 46.8 1.0 CA B:PRO170 3.6 60.6 1.0 CB B:THR171 3.8 56.2 1.0 C B:PRO170 3.9 50.1 1.0 CB B:PHE164 4.0 58.6 1.0 CA B:THR171 4.1 44.2 1.0 C B:ARG160 4.2 50.8 1.0 CB B:PRO170 4.2 62.7 1.0 CA B:ARG160 4.4 49.7 1.0 CB B:ARG160 4.5 51.0 1.0 CD2 B:PHE164 4.6 58.2 1.0 CA B:PHE164 4.7 50.5 1.0 N B:PHE164 4.7 56.1 1.0 CG B:PHE164 4.7 61.8 1.0 CG B:ARG160 4.7 59.0 1.0 O B:VAL169 4.9 63.5 1.0 N B:PRO170 4.9 54.6 1.0

K.E.Van Straaten, F.H.Routier, D.A.Sanders. Structural Insight Into the Unique Substrate Binding Mechanism and Flavin Redox State of Udp-Galactopyranose Mutase From Aspergillus Fumigatus. J.Biol.Chem. V. 287 10780 2012.
ISSN: ISSN 0021-9258
PubMed: 22334662
DOI: 10.1074/JBC.M111.322974