Iron in PDB 1guq: Structure of Nucleotidyltransferase Complexed with Udp-Glucose

All present enzymatic activity of Structure of Nucleotidyltransferase Complexed with Udp-Glucose:
2.7.7.10;

The structure of Structure of Nucleotidyltransferase Complexed with Udp-Glucose, PDB code: 1guq was solved by J.B.Thoden, I.Rayment, H.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.400, 57.500, 188.900, 90.00, 100.13, 90.00
R / Rfree (%)	n/a / n/a

The structure of Structure of Nucleotidyltransferase Complexed with Udp-Glucose also contains other interesting chemical elements:

Potassium	(K)	4 atoms
Zinc	(Zn)	4 atoms

The binding sites of Iron atom in the Structure of Nucleotidyltransferase Complexed with Udp-Glucose (pdb code 1guq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Nucleotidyltransferase Complexed with Udp-Glucose, PDB code: 1guq:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of Nucleotidyltransferase Complexed with Udp-Glucose


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Nucleotidyltransferase Complexed with Udp-Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe351 b:16.6 occ:1.00 NE2 A:HIS298 1.9 15.3 1.0 OE2 A:GLU182 2.1 15.6 1.0 NE2 A:HIS296 2.1 9.1 1.0 ND1 A:HIS281 2.1 16.1 1.0 OE1 A:GLU182 2.3 18.5 1.0 CD A:GLU182 2.5 15.2 1.0 CE1 A:HIS298 2.9 15.2 1.0 CD2 A:HIS298 3.0 10.0 1.0 CD2 A:HIS296 3.0 11.2 1.0 CE1 A:HIS281 3.1 16.8 1.0 CE1 A:HIS296 3.1 16.8 1.0 CG A:HIS281 3.2 24.9 1.0 CB A:HIS281 3.5 17.0 1.0 CD1 A:LEU17 3.9 17.9 1.0 CG A:GLU182 4.0 15.1 1.0 ND1 A:HIS298 4.0 13.7 1.0 O A:HOH400 4.0 31.9 1.0 CG A:HIS298 4.1 8.2 1.0 CG A:HIS296 4.2 14.4 1.0 ND1 A:HIS296 4.2 15.3 1.0 NE2 A:HIS281 4.2 14.1 1.0 CD2 A:HIS281 4.3 17.2 1.0 O A:HOH356 4.9 13.4 1.0 CG A:LEU17 4.9 14.9 1.0 CB A:GLU182 4.9 16.4 1.0 CD2 A:LEU17 5.0 10.3 1.0

Iron binding site 2 out of 4 in the Structure of Nucleotidyltransferase Complexed with Udp-Glucose


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Nucleotidyltransferase Complexed with Udp-Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe351 b:17.4 occ:1.00 NE2 B:HIS298 2.0 11.2 1.0 ND1 B:HIS281 2.0 20.7 1.0 NE2 B:HIS296 2.1 12.8 1.0 OE2 B:GLU182 2.2 17.6 1.0 OE1 B:GLU182 2.2 22.1 1.0 CD B:GLU182 2.5 20.1 1.0 CE1 B:HIS298 3.0 8.7 1.0 CE1 B:HIS281 3.0 22.2 1.0 CD2 B:HIS298 3.1 10.7 1.0 CD2 B:HIS296 3.1 16.9 1.0 CG B:HIS281 3.1 27.6 1.0 CE1 B:HIS296 3.2 16.5 1.0 CB B:HIS281 3.5 17.0 1.0 CG B:GLU182 4.0 12.7 1.0 CD1 B:LEU17 4.1 15.4 1.0 ND1 B:HIS298 4.1 7.9 1.0 NE2 B:HIS281 4.2 23.6 1.0 O B:HOH534 4.2 25.1 1.0 CG B:HIS298 4.2 12.9 1.0 CD2 B:HIS281 4.2 13.6 1.0 CG B:HIS296 4.2 11.7 1.0 ND1 B:HIS296 4.3 11.1 1.0 O B:HOH527 4.6 31.3 1.0 O B:HOH407 4.8 16.9 1.0 CD2 B:LEU17 4.8 23.9 1.0 CB B:GLU182 4.9 12.9 1.0 CG B:LEU17 5.0 19.0 1.0

Iron binding site 3 out of 4 in the Structure of Nucleotidyltransferase Complexed with Udp-Glucose


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Nucleotidyltransferase Complexed with Udp-Glucose within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe351 b:19.1 occ:1.00 NE2 C:HIS296 2.0 16.6 1.0 OE2 C:GLU182 2.0 16.6 1.0 NE2 C:HIS298 2.1 13.8 1.0 ND1 C:HIS281 2.2 18.9 1.0 OE1 C:GLU182 2.5 18.2 1.0 CD C:GLU182 2.5 25.1 1.0 CE1 C:HIS296 2.9 15.5 1.0 CE1 C:HIS298 3.0 11.1 1.0 CD2 C:HIS296 3.1 15.2 1.0 CD2 C:HIS298 3.1 11.5 1.0 CE1 C:HIS281 3.1 19.3 1.0 CG C:HIS281 3.2 26.3 1.0 CB C:HIS281 3.5 19.3 1.0 CD1 C:LEU17 3.7 13.3 1.0 CG C:GLU182 4.0 15.9 1.0 ND1 C:HIS296 4.1 15.3 1.0 ND1 C:HIS298 4.1 14.7 1.0 CG C:HIS296 4.2 17.1 1.0 CG C:HIS298 4.2 9.9 1.0 NE2 C:HIS281 4.3 18.1 1.0 CD2 C:HIS281 4.3 23.9 1.0 O C:HOH887 4.3 22.2 1.0 CD2 C:LEU17 4.7 17.5 1.0 CG C:LEU17 4.7 29.2 1.0 CB C:GLU182 4.9 15.6 1.0

Iron binding site 4 out of 4 in the Structure of Nucleotidyltransferase Complexed with Udp-Glucose


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Nucleotidyltransferase Complexed with Udp-Glucose within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe351 b:18.8 occ:1.00 ND1 D:HIS281 1.9 17.8 1.0 NE2 D:HIS298 2.1 14.2 1.0 OE2 D:GLU182 2.1 23.5 1.0 NE2 D:HIS296 2.2 17.2 1.0 OE1 D:GLU182 2.4 25.8 1.0 CD D:GLU182 2.5 38.4 1.0 CE1 D:HIS281 2.9 17.8 1.0 CG D:HIS281 2.9 17.5 1.0 CD2 D:HIS298 3.1 22.7 1.0 CE1 D:HIS298 3.1 20.7 1.0 CE1 D:HIS296 3.2 14.6 1.0 CD2 D:HIS296 3.2 17.9 1.0 CB D:HIS281 3.3 21.6 1.0 CD1 D:LEU17 4.0 27.0 1.0 CG D:GLU182 4.0 20.9 1.0 NE2 D:HIS281 4.0 12.4 1.0 CD2 D:HIS281 4.1 14.6 1.0 O D:HOH915 4.1 23.6 1.0 CG D:HIS298 4.2 12.6 1.0 ND1 D:HIS298 4.2 21.1 1.0 CG D:HIS296 4.3 18.3 1.0 ND1 D:HIS296 4.3 16.8 1.0 O C:HOH762 4.8 16.5 1.0 CA D:HIS281 4.8 16.6 1.0 CB D:GLU182 4.9 22.7 1.0

J.B.Thoden, F.J.Ruzicka, P.A.Frey, I.Rayment, H.M.Holden. Structural Analysis of the H166G Site-Directed Mutant of Galactose-1-Phosphate Uridylyltransferase Complexed with Either Udp-Glucose or Udp-Galactose: Detailed Description of the Nucleotide Sugar Binding Site. Biochemistry V. 36 1212 1997.
ISSN: ISSN 0006-2960
PubMed: 9063869
DOI: 10.1021/BI9626517