Iron in PDB 1gup: Structure of Nucleotidyltransferase Complexed with Udp- Galactose

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

The structure of Structure of Nucleotidyltransferase Complexed with Udp- Galactose, PDB code: 1gup 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 (°)	68.700, 57.700, 188.700, 90.00, 100.08, 90.00
R / Rfree (%)	n/a / n/a

The structure of Structure of Nucleotidyltransferase Complexed with Udp- Galactose 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- Galactose (pdb code 1gup). 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- Galactose, PDB code: 1gup:
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- Galactose


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- Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe351 b:17.9 occ:1.00 OE2 A:GLU182 1.9 18.2 1.0 OE1 A:GLU182 2.0 20.8 1.0 NE2 A:HIS296 2.1 13.5 1.0 NE2 A:HIS298 2.2 14.4 1.0 CD A:GLU182 2.3 12.6 1.0 ND1 A:HIS281 2.3 19.0 1.0 CD2 A:HIS296 3.0 12.8 1.0 CE1 A:HIS296 3.1 18.8 1.0 CE1 A:HIS298 3.1 13.7 1.0 CD2 A:HIS298 3.2 11.7 1.0 CE1 A:HIS281 3.2 29.2 1.0 CG A:HIS281 3.3 32.1 1.0 CB A:HIS281 3.5 13.9 1.0 CG A:GLU182 3.8 21.0 1.0 CD1 A:LEU17 3.9 18.7 1.0 O A:HOH656 4.0 47.4 1.0 CG A:HIS296 4.1 11.9 1.0 ND1 A:HIS296 4.2 13.3 1.0 ND1 A:HIS298 4.3 11.6 1.0 CG A:HIS298 4.3 13.1 1.0 NE2 A:HIS281 4.4 12.6 1.0 CD2 A:HIS281 4.5 11.2 1.0 O A:HOH527 4.6 36.8 1.0 CB A:GLU182 4.7 17.6 1.0 CG A:LEU17 4.9 11.2 1.0 CD2 A:LEU17 4.9 10.6 1.0

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


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- Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe351 b:18.8 occ:1.00 OE2 B:GLU182 1.8 18.0 1.0 OE1 B:GLU182 2.1 16.0 1.0 ND1 B:HIS281 2.2 25.5 1.0 NE2 B:HIS296 2.2 20.4 1.0 NE2 B:HIS298 2.2 19.6 1.0 CD B:GLU182 2.3 14.4 1.0 CE1 B:HIS298 3.1 13.3 1.0 CG B:HIS281 3.1 23.1 1.0 CD2 B:HIS296 3.1 18.4 1.0 CE1 B:HIS281 3.2 18.2 1.0 CE1 B:HIS296 3.2 21.9 1.0 CD2 B:HIS298 3.3 19.8 1.0 CB B:HIS281 3.4 14.6 1.0 CG B:GLU182 3.7 11.9 1.0 CD1 B:LEU17 3.9 17.7 1.0 O B:HOH546 4.2 30.8 1.0 ND1 B:HIS298 4.3 13.4 1.0 NE2 B:HIS281 4.3 32.1 1.0 CG B:HIS296 4.3 15.1 1.0 CD2 B:HIS281 4.3 21.4 1.0 ND1 B:HIS296 4.3 15.2 1.0 CG B:HIS298 4.4 14.9 1.0 O B:HOH417 4.4 28.8 1.0 CD2 B:LEU17 4.6 20.8 1.0 CB B:GLU182 4.7 19.3 1.0 O B:HOH370 4.8 13.3 1.0 CG B:LEU17 4.8 16.4 1.0 CA B:HIS281 4.9 9.4 1.0

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


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- Galactose within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe351 b:19.9 occ:1.00 OE2 C:GLU182 1.8 16.2 1.0 ND1 C:HIS281 2.0 33.7 1.0 NE2 C:HIS296 2.0 19.0 1.0 NE2 C:HIS298 2.2 19.6 1.0 CD C:GLU182 2.5 24.4 1.0 OE1 C:GLU182 2.6 29.9 1.0 CE1 C:HIS296 2.7 17.6 1.0 CE1 C:HIS281 2.9 37.2 1.0 CG C:HIS281 3.0 39.8 1.0 CE1 C:HIS298 3.2 19.6 1.0 CD2 C:HIS298 3.2 15.8 1.0 CD2 C:HIS296 3.2 14.3 1.0 CB C:HIS281 3.3 21.6 1.0 CG C:GLU182 3.9 17.4 1.0 ND1 C:HIS296 4.0 22.6 1.0 CD1 C:LEU17 4.0 23.7 1.0 NE2 C:HIS281 4.1 23.6 1.0 CD2 C:HIS281 4.1 25.9 1.0 CG C:HIS296 4.2 12.7 1.0 ND1 C:HIS298 4.3 18.2 1.0 CG C:HIS298 4.3 31.6 1.0 O C:HOH827 4.5 29.9 1.0 CD2 C:LEU17 4.7 22.3 1.0 CB C:GLU182 4.8 14.1 1.0 CA C:HIS281 4.8 31.1 1.0 O C:HOH818 4.9 36.8 1.0 CG C:LEU17 4.9 28.3 1.0

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


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- Galactose within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe351 b:23.6 occ:1.00 NE2 D:HIS296 1.9 19.9 1.0 OE2 D:GLU182 2.1 25.7 1.0 ND1 D:HIS281 2.1 11.2 1.0 NE2 D:HIS298 2.3 14.8 1.0 OE1 D:GLU182 2.4 20.1 1.0 CD D:GLU182 2.5 0.0 1.0 CD2 D:HIS296 2.8 17.6 1.0 CE1 D:HIS296 3.0 20.4 1.0 CE1 D:HIS298 3.1 0.0 1.0 CG D:HIS281 3.1 10.7 1.0 CE1 D:HIS281 3.1 13.2 1.0 CD2 D:HIS298 3.4 27.4 1.0 CB D:HIS281 3.4 14.3 1.0 CG D:HIS296 4.0 22.9 1.0 CG D:GLU182 4.0 21.2 1.0 O D:HOH919 4.1 35.1 1.0 ND1 D:HIS296 4.1 22.8 1.0 CD1 D:LEU17 4.1 61.3 1.0 NE2 D:HIS281 4.2 12.9 1.0 CD2 D:HIS281 4.3 11.0 1.0 ND1 D:HIS298 4.3 19.3 1.0 CG D:HIS298 4.4 27.7 1.0 CD2 D:LEU17 4.7 36.1 1.0 CA D:HIS281 4.9 29.9 1.0 CB D:GLU182 4.9 29.4 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