Iron in PDB 8jk5: Crystal Structure of SP1746 From Streptococcus Pneumoniae Serotype 4 (Strain Atcc Baa-334 / TIGR4)

All present enzymatic activity of Crystal Structure of SP1746 From Streptococcus Pneumoniae Serotype 4 (Strain Atcc Baa-334 / TIGR4):
3.6.1.41;

The structure of Crystal Structure of SP1746 From Streptococcus Pneumoniae Serotype 4 (Strain Atcc Baa-334 / TIGR4), PDB code: 8jk5 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)	59.80 / 1.70
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.051, 69.051, 88.266, 90, 90, 120
R / Rfree (%)	19 / 21.6

The binding sites of Iron atom in the Crystal Structure of SP1746 From Streptococcus Pneumoniae Serotype 4 (Strain Atcc Baa-334 / TIGR4) (pdb code 8jk5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of SP1746 From Streptococcus Pneumoniae Serotype 4 (Strain Atcc Baa-334 / TIGR4), PDB code: 8jk5:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of SP1746 From Streptococcus Pneumoniae Serotype 4 (Strain Atcc Baa-334 / TIGR4)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of SP1746 From Streptococcus Pneumoniae Serotype 4 (Strain Atcc Baa-334 / TIGR4) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:22.0 occ:1.00 O A:HOH410 2.0 23.4 1.0 OD1 A:ASP59 2.1 23.4 1.0 NE2 A:HIS117 2.1 20.9 1.0 NE2 A:HIS91 2.1 22.4 1.0 O A:HOH457 2.1 27.3 1.0 O2 A:GOL305 2.3 30.6 1.0 CG A:ASP59 3.1 22.5 1.0 CD2 A:HIS91 3.1 22.5 1.0 C2 A:GOL305 3.1 35.9 1.0 CE1 A:HIS117 3.1 21.1 1.0 CD2 A:HIS117 3.1 20.5 1.0 CE1 A:HIS91 3.2 23.3 1.0 OD2 A:ASP59 3.4 22.8 1.0 FE A:FE302 3.6 24.1 1.0 OG1 A:THR118 3.8 22.5 1.0 CD2 A:HIS58 3.9 22.1 1.0 O A:HOH421 4.0 27.7 1.0 C1 A:GOL305 4.0 38.3 1.0 O1 A:GOL305 4.2 38.7 1.0 C3 A:GOL305 4.2 36.9 1.0 ND1 A:HIS117 4.2 21.5 1.0 CG A:HIS91 4.2 22.1 1.0 ND1 A:HIS91 4.2 22.8 1.0 CG A:HIS117 4.3 21.3 1.0 NE2 A:HIS58 4.3 21.9 1.0 OD2 A:ASP135 4.4 26.6 1.0 CB A:ASP59 4.5 23.0 1.0 O3 A:GOL305 4.5 41.4 1.0 O A:HIS58 4.8 22.2 1.0 CA A:ASP59 4.8 22.3 1.0 OD1 A:ASP135 4.8 25.4 1.0 CD A:LYS62 4.8 34.9 1.0 CG A:ASP135 4.9 24.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of SP1746 From Streptococcus Pneumoniae Serotype 4 (Strain Atcc Baa-334 / TIGR4)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of SP1746 From Streptococcus Pneumoniae Serotype 4 (Strain Atcc Baa-334 / TIGR4) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:24.1 occ:1.00 O A:HOH410 2.0 23.4 1.0 OD1 A:ASP135 2.1 25.4 1.0 NE2 A:HIS29 2.1 23.0 1.0 NE2 A:HIS58 2.1 21.9 1.0 OD2 A:ASP59 2.2 22.8 1.0 O A:HOH421 2.2 27.7 1.0 CD2 A:HIS58 3.0 22.1 1.0 CG A:ASP59 3.0 22.5 1.0 CG A:ASP135 3.0 24.9 1.0 CD2 A:HIS29 3.1 22.9 1.0 CE1 A:HIS29 3.1 23.3 1.0 CE1 A:HIS58 3.2 22.8 1.0 OD2 A:ASP135 3.4 26.6 1.0 OD1 A:ASP59 3.4 23.4 1.0 FE A:FE301 3.6 22.0 1.0 O A:HOH457 3.7 27.3 1.0 NH1 A:ARG26 4.0 38.6 1.0 O1 A:GOL305 4.0 38.7 1.0 ND1 A:HIS29 4.2 23.0 1.0 CG A:HIS58 4.2 22.2 1.0 CG A:HIS29 4.2 23.5 1.0 CB A:ASP59 4.2 23.0 1.0 ND1 A:HIS58 4.3 21.9 1.0 CB A:ASP135 4.3 23.1 1.0 NE2 A:HIS117 4.6 20.9 1.0 CG2 A:VAL33 4.8 21.9 1.0 CD2 A:HIS117 4.8 20.5 1.0 CA A:ASP135 4.9 22.8 1.0 O2 A:GOL305 4.9 30.6 1.0 C2 A:GOL305 4.9 35.9 1.0 O A:ASP135 4.9 23.2 1.0 C1 A:GOL305 5.0 38.3 1.0

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