Iron in PDB 8jk8: SP1746 in Complex with Udp

All present enzymatic activity of SP1746 in Complex with Udp:
3.6.1.41;

The structure of SP1746 in Complex with Udp, PDB code: 8jk8 was solved by Y.Jin, L.Niu, J.Ke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.01 / 1.95
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.369, 70.369, 88.15, 90, 90, 120
R / Rfree (%)	19.1 / 22.3

The binding sites of Iron atom in the SP1746 in Complex with Udp (pdb code 8jk8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the SP1746 in Complex with Udp, PDB code: 8jk8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the SP1746 in Complex with Udp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of SP1746 in Complex with Udp within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:34.9 occ:1.00 O A:HOH430 2.0 29.7 1.0 NE2 A:HIS117 2.1 31.6 1.0 NE2 A:HIS91 2.1 39.5 1.0 OD1 A:ASP59 2.2 33.7 1.0 O1A A:UDP303 2.2 41.9 1.0 O1B A:UDP303 2.3 47.4 1.0 CD2 A:HIS117 2.9 31.6 1.0 CE1 A:HIS91 3.1 41.2 1.0 CD2 A:HIS91 3.1 40.0 1.0 CE1 A:HIS117 3.1 31.5 1.0 CG A:ASP59 3.1 31.9 1.0 PA A:UDP303 3.3 51.1 1.0 OD2 A:ASP59 3.4 33.2 1.0 PB A:UDP303 3.4 58.0 1.0 O3A A:UDP303 3.5 51.5 1.0 FE A:FE302 3.6 33.9 1.0 OG1 A:THR118 3.8 33.9 1.0 CD2 A:HIS58 4.0 29.3 1.0 O2B A:UDP303 4.0 46.2 1.0 CG A:HIS117 4.1 30.8 1.0 ND1 A:HIS117 4.2 31.8 1.0 ND1 A:HIS91 4.2 40.8 1.0 O2A A:UDP303 4.2 49.4 1.0 CG A:HIS91 4.2 40.2 1.0 OD2 A:ASP135 4.2 34.7 1.0 NE2 A:HIS58 4.4 29.7 1.0 O5' A:UDP303 4.5 53.3 1.0 CB A:ASP59 4.5 33.0 1.0 NZ A:LYS62 4.6 54.5 1.0 O3B A:UDP303 4.7 57.0 1.0 C5' A:UDP303 4.8 58.4 1.0 CD A:LYS62 4.8 49.3 1.0 O A:HIS58 4.8 33.5 1.0 CA A:ASP59 4.9 33.4 1.0 CG A:ASP135 4.9 35.0 1.0 OD1 A:ASP135 4.9 32.5 1.0

Iron binding site 2 out of 2 in the SP1746 in Complex with Udp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of SP1746 in Complex with Udp within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:33.9 occ:1.00 O A:HOH430 1.9 29.7 1.0 NE2 A:HIS29 2.0 31.6 1.0 OD1 A:ASP135 2.1 32.5 1.0 NE2 A:HIS58 2.2 29.7 1.0 OD2 A:ASP59 2.2 33.2 1.0 O2B A:UDP303 2.3 46.2 1.0 CD2 A:HIS29 3.0 32.1 1.0 CE1 A:HIS29 3.0 31.2 1.0 CG A:ASP135 3.0 35.0 1.0 CD2 A:HIS58 3.1 29.3 1.0 CG A:ASP59 3.1 31.9 1.0 CE1 A:HIS58 3.2 31.7 1.0 PB A:UDP303 3.4 58.0 1.0 OD2 A:ASP135 3.4 34.7 1.0 OD1 A:ASP59 3.5 33.7 1.0 O1B A:UDP303 3.5 47.4 1.0 FE A:FE301 3.6 34.9 1.0 O3A A:UDP303 3.9 51.5 1.0 NH2 A:ARG26 4.0 54.7 1.0 ND1 A:HIS29 4.1 33.4 1.0 CG A:HIS29 4.1 32.8 1.0 CB A:ASP59 4.2 33.0 1.0 CG A:HIS58 4.2 28.5 1.0 ND1 A:HIS58 4.3 29.3 1.0 CB A:ASP135 4.3 33.0 1.0 O A:HOH465 4.4 44.9 1.0 O3B A:UDP303 4.7 57.0 1.0 NE2 A:HIS117 4.7 31.6 1.0 CG2 A:VAL33 4.8 28.2 1.0 CD2 A:HIS117 4.8 31.6 1.0 CA A:ASP135 4.8 31.8 1.0 O1A A:UDP303 4.9 41.9 1.0 PA A:UDP303 4.9 51.1 1.0 O A:ASP135 5.0 34.2 1.0

Y.Jin, J.Ke, L.Niu. Structural and Biochemical Characterization of A Novel Hydrolase From Streptococcus Pneumoniae To Be Published.