Manganese in PDB 2i6k: Crystal Structure of Human Type I Ipp Isomerase Complexed with A Substrate Analog

All present enzymatic activity of Crystal Structure of Human Type I Ipp Isomerase Complexed with A Substrate Analog:
5.3.3.2;

The structure of Crystal Structure of Human Type I Ipp Isomerase Complexed with A Substrate Analog, PDB code: 2i6k was solved by C.Zhang, Z.Wei, W.Gong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.40 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.363, 43.074, 70.466, 80.26, 89.98, 67.95
R / Rfree (%)	22 / 26.2

The structure of Crystal Structure of Human Type I Ipp Isomerase Complexed with A Substrate Analog also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Manganese atom in the Crystal Structure of Human Type I Ipp Isomerase Complexed with A Substrate Analog (pdb code 2i6k). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Human Type I Ipp Isomerase Complexed with A Substrate Analog, PDB code: 2i6k:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Human Type I Ipp Isomerase Complexed with A Substrate Analog


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Human Type I Ipp Isomerase Complexed with A Substrate Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn228 b:29.5 occ:1.00 OE1 A:GLU146 2.1 35.2 1.0 NE2 A:HIS51 2.1 24.7 1.0 NE2 A:HIS88 2.1 31.0 1.0 NE2 A:HIS40 2.2 24.8 1.0 OE2 A:GLU148 2.2 33.2 1.0 OE2 A:GLU146 2.7 41.1 1.0 CD A:GLU146 2.7 35.9 1.0 CD A:GLU148 3.0 35.2 1.0 CE1 A:HIS51 3.0 23.0 1.0 CD2 A:HIS88 3.0 31.8 1.0 CE1 A:HIS40 3.1 30.3 1.0 CE1 A:HIS88 3.1 31.3 1.0 CD2 A:HIS51 3.2 24.6 1.0 CD2 A:HIS40 3.3 31.2 1.0 CG A:GLU148 3.5 34.3 1.0 OE1 A:GLU148 3.9 39.4 1.0 ND1 A:HIS88 4.1 29.8 1.0 CG A:HIS88 4.1 31.7 1.0 ND1 A:HIS51 4.2 24.8 1.0 C2 A:EA2401 4.2 38.6 1.0 C1 A:EA2401 4.2 35.9 1.0 ND1 A:HIS40 4.2 27.8 1.0 CG A:GLU146 4.2 31.7 1.0 CG A:HIS51 4.3 27.1 1.0 CG A:HIS40 4.4 30.9 1.0 CB A:GLU148 4.9 30.6 1.0 CB A:GLU146 4.9 32.0 1.0 CB A:ALA53 4.9 29.5 1.0 N3 A:EA2401 4.9 38.6 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Human Type I Ipp Isomerase Complexed with A Substrate Analog


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Human Type I Ipp Isomerase Complexed with A Substrate Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn228 b:31.5 occ:1.00 NE2 B:HIS51 2.1 24.8 1.0 OE1 B:GLU146 2.1 34.9 1.0 NE2 B:HIS88 2.2 31.2 1.0 NE2 B:HIS40 2.2 25.3 1.0 OE2 B:GLU148 2.2 33.5 1.0 OE2 B:GLU146 2.7 40.9 1.0 CD B:GLU146 2.7 36.0 1.0 CE1 B:HIS51 2.9 23.0 1.0 CD B:GLU148 3.0 35.3 1.0 CE1 B:HIS40 3.0 30.4 1.0 CD2 B:HIS88 3.1 31.6 1.0 CE1 B:HIS88 3.1 31.4 1.0 CD2 B:HIS51 3.2 24.6 1.0 CD2 B:HIS40 3.2 31.2 1.0 CG B:GLU148 3.4 34.4 1.0 OE1 B:GLU148 4.0 39.0 1.0 ND1 B:HIS51 4.1 24.6 1.0 CG B:HIS88 4.2 31.8 1.0 ND1 B:HIS88 4.2 29.9 1.0 ND1 B:HIS40 4.2 28.3 1.0 C1 B:EA2402 4.2 31.5 1.0 CG B:GLU146 4.2 32.0 1.0 CG B:HIS51 4.2 26.8 1.0 CG B:HIS40 4.3 31.0 1.0 C2 B:EA2402 4.4 25.9 1.0 N3 B:EA2402 4.6 27.2 1.0 CB B:GLU148 4.8 30.5 1.0 CB B:GLU146 4.9 32.0 1.0 CB B:ALA53 4.9 29.5 1.0

C.Zhang, L.Liu, H.Xu, Z.Wei, Y.Wang, Y.Lin, W.Gong. Crystal Structures of Human Ipp Isomerase: New Insights Into the Catalytic Mechanism J.Mol.Biol. V. 366 1437 2007.
ISSN: ISSN 0022-2836
PubMed: 17137593
DOI: 10.1016/J.JMB.2006.10.092