Manganese in PDB 6gj0: Human Impase with Mn

All present enzymatic activity of Human Impase with Mn:
3.1.3.25; 3.1.3.94;

The structure of Human Impase with Mn, PDB code: 6gj0 was solved by L.V.Kraft, S.M.Roe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.47 / 1.73
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.940, 84.940, 152.510, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 21

The binding sites of Manganese atom in the Human Impase with Mn (pdb code 6gj0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the Human Impase with Mn, PDB code: 6gj0:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in the Human Impase with Mn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Human Impase with Mn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:18.0 occ:1.00 OE2 A:GLU70 2.1 17.4 1.0 O A:HOH429 2.2 21.7 1.0 O A:HOH456 2.2 16.9 1.0 O2S A:MES307 2.2 16.7 1.0 O A:HOH432 2.2 18.6 1.0 O1S A:MES307 2.4 17.5 1.0 S A:MES307 2.8 23.7 1.0 CD A:GLU70 3.2 16.6 1.0 OE1 A:GLU70 3.6 14.1 1.0 O3S A:MES307 3.9 13.5 1.0 O A:LEU42 3.9 16.0 1.0 O A:HOH622 3.9 35.7 1.0 NZ A:LYS36 3.9 17.2 1.0 MN A:MN302 4.0 14.0 1.0 C8 A:MES307 4.0 10.9 1.0 OD1 A:ASP41 4.1 22.1 1.0 O A:HOH528 4.1 20.5 1.0 OE2 A:GLU71 4.2 15.6 1.0 O A:HOH585 4.4 39.4 1.0 OG1 A:THR95 4.4 16.1 1.0 CG A:GLU70 4.5 14.5 1.0 O A:HOH492 4.5 13.2 1.0 C5 A:MES307 4.5 42.7 1.0 CD A:LYS36 4.7 21.8 1.0 O A:HOH574 4.8 37.4 1.0 C7 A:MES307 4.9 36.6 1.0 CE A:LYS36 4.9 24.1 1.0 O A:HOH514 4.9 17.3 1.0 CB A:THR95 4.9 15.1 1.0 N4 A:MES307 5.0 33.2 1.0

Manganese binding site 2 out of 6 in the Human Impase with Mn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Human Impase with Mn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:14.0 occ:1.00 OE1 A:GLU70 2.1 14.1 1.0 OD1 A:ASP90 2.2 13.1 1.0 O A:ILE92 2.2 13.8 1.0 O3S A:MES307 2.2 13.5 1.0 O A:HOH492 2.2 13.2 1.0 O1S A:MES307 2.3 17.5 1.0 S A:MES307 2.8 23.7 1.0 CG A:ASP90 3.1 15.2 1.0 C A:ILE92 3.2 14.0 1.0 CD A:GLU70 3.2 16.6 1.0 OD2 A:ASP90 3.3 16.4 1.0 OE2 A:GLU70 3.6 17.4 1.0 MN A:MN303 3.7 16.0 1.0 O2S A:MES307 3.8 16.7 1.0 N A:ASP93 3.9 11.7 1.0 C8 A:MES307 3.9 10.9 1.0 CA A:ASP93 3.9 12.3 1.0 MN A:MN301 4.0 18.0 1.0 OG1 A:THR95 4.0 16.1 1.0 N A:ILE92 4.0 14.7 1.0 CA A:ILE92 4.1 13.4 1.0 O A:HOH528 4.1 20.5 1.0 OE2 A:GLU71 4.3 15.6 1.0 OD2 A:ASP47 4.3 17.1 1.0 CD A:PRO91 4.4 13.6 1.0 CB A:ASP90 4.4 13.6 1.0 CG A:GLU70 4.5 14.5 1.0 O A:HOH456 4.5 16.9 1.0 CB A:GLU70 4.6 14.2 1.0 CB A:ILE92 4.7 15.6 1.0 N A:PRO91 4.7 12.7 1.0 CA A:ASP90 4.8 10.9 1.0 CG A:PRO91 4.8 13.0 1.0 OD1 A:ASP93 4.8 15.9 1.0 C A:ASP90 4.8 12.9 1.0 CB A:ASP93 4.9 11.1 1.0 N A:GLY94 4.9 13.7 1.0 C A:ASP93 5.0 14.3 1.0

Manganese binding site 3 out of 6 in the Human Impase with Mn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Human Impase with Mn within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn303 b:16.0 occ:1.00 OD1 A:ASP220 2.0 18.7 1.0 O3S A:MES307 2.1 13.5 1.0 OD2 A:ASP90 2.1 16.4 1.0 OD1 A:ASP93 2.1 15.9 1.0 O1 A:GOL304 2.3 20.1 1.0 O A:HOH528 2.5 20.5 1.0 CG A:ASP93 3.2 16.8 1.0 CG A:ASP220 3.2 16.6 1.0 CG A:ASP90 3.3 15.2 1.0 S A:MES307 3.4 23.7 1.0 C1 A:GOL304 3.7 39.8 1.0 O2S A:MES307 3.7 16.7 1.0 MN A:MN302 3.7 14.0 1.0 O2 A:GOL304 3.8 20.6 1.0 OD1 A:ASP90 3.8 13.1 1.0 CB A:ASP93 3.8 11.1 1.0 CA A:ASP93 3.9 12.3 1.0 OD2 A:ASP220 3.9 16.0 1.0 O A:HOH446 3.9 24.1 1.0 C7 A:MES307 4.0 36.6 1.0 CD1 A:TRP219 4.1 13.5 1.0 OE1 A:GLU70 4.1 14.1 1.0 C8 A:MES307 4.1 10.9 1.0 OD2 A:ASP93 4.2 15.3 1.0 NE1 A:TRP219 4.3 14.1 1.0 CB A:ASP220 4.3 15.1 1.0 C2 A:GOL304 4.4 27.7 1.0 O1S A:MES307 4.5 17.5 1.0 CB A:ASP90 4.5 13.6 1.0 CA A:ASP220 4.5 15.2 1.0 O A:ILE92 4.7 13.8 1.0 N A:GLY94 4.7 13.7 1.0 C A:ASP93 4.8 14.3 1.0 CD A:GLU70 4.9 16.6 1.0 N A:ASP93 4.9 11.7 1.0

Manganese binding site 4 out of 6 in the Human Impase with Mn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Human Impase with Mn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:17.7 occ:1.00 OD1 B:ASP220 2.0 20.8 1.0 O1S B:MES307 2.0 16.8 1.0 OD1 B:ASP93 2.2 15.6 1.0 OD2 B:ASP90 2.2 13.7 1.0 O3 B:GOL304 2.3 21.3 1.0 O B:HOH517 2.4 20.7 1.0 CG B:ASP93 3.2 17.2 1.0 CG B:ASP220 3.2 19.8 1.0 CG B:ASP90 3.3 13.2 1.0 S B:MES307 3.3 22.6 1.0 C3 B:GOL304 3.6 30.9 1.0 O2S B:MES307 3.7 18.3 1.0 MN B:MN302 3.7 14.4 1.0 OD1 B:ASP90 3.8 13.4 1.0 CB B:ASP93 3.8 14.4 1.0 CA B:ASP93 3.9 12.6 1.0 O2 B:GOL304 3.9 21.1 1.0 O B:HOH413 3.9 25.1 1.0 OD2 B:ASP220 3.9 19.6 1.0 C8 B:MES307 4.0 10.5 1.0 OE1 B:GLU70 4.2 14.3 1.0 OD2 B:ASP93 4.2 15.4 1.0 CD1 B:TRP219 4.2 15.4 1.0 CB B:ASP220 4.3 16.9 1.0 C2 B:GOL304 4.3 28.1 1.0 NE1 B:TRP219 4.4 15.1 1.0 O3S B:MES307 4.4 17.2 1.0 CA B:ASP220 4.5 16.0 1.0 CB B:ASP90 4.5 16.6 1.0 O B:ILE92 4.7 12.4 1.0 N B:GLY94 4.7 14.0 1.0 C B:ASP93 4.8 14.1 1.0 CD B:GLU70 4.9 17.0 1.0 N B:ASP93 4.9 13.1 1.0

Manganese binding site 5 out of 6 in the Human Impase with Mn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Human Impase with Mn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:14.4 occ:1.00 OD1 B:ASP90 2.1 13.4 1.0 OE1 B:GLU70 2.1 14.3 1.0 O B:HOH472 2.2 15.1 1.0 O B:ILE92 2.2 12.4 1.0 O1S B:MES307 2.3 16.8 1.0 O3S B:MES307 2.4 17.2 1.0 S B:MES307 2.8 22.6 1.0 CG B:ASP90 3.1 13.2 1.0 CD B:GLU70 3.1 17.0 1.0 C B:ILE92 3.2 14.0 1.0 OD2 B:ASP90 3.4 13.7 1.0 OE2 B:GLU70 3.5 17.4 1.0 MN B:MN301 3.7 17.7 1.0 O2S B:MES307 3.8 18.3 1.0 N B:ASP93 3.9 13.1 1.0 MN B:MN303 3.9 18.2 1.0 CA B:ASP93 3.9 12.6 1.0 OG1 B:THR95 4.0 13.8 1.0 N B:ILE92 4.0 14.0 1.0 O B:HOH517 4.1 20.7 1.0 CA B:ILE92 4.1 11.4 1.0 C8 B:MES307 4.1 10.5 1.0 OE2 B:GLU71 4.3 18.9 1.0 OD2 B:ASP47 4.3 19.9 1.0 CD B:PRO91 4.4 16.6 1.0 CG B:GLU70 4.4 13.4 1.0 CB B:ASP90 4.5 16.6 1.0 O B:HOH447 4.5 15.5 1.0 CB B:GLU70 4.6 15.8 1.0 CB B:ILE92 4.7 12.8 1.0 N B:PRO91 4.7 16.2 1.0 CG B:PRO91 4.8 17.7 1.0 CA B:ASP90 4.8 14.4 1.0 C B:ASP90 4.8 13.1 1.0 OD1 B:ASP93 4.8 15.6 1.0 CB B:ASP93 4.9 14.4 1.0 N B:GLY94 4.9 14.0 1.0 C B:ASP93 4.9 14.1 1.0

Manganese binding site 6 out of 6 in the Human Impase with Mn


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Human Impase with Mn within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn303 b:18.2 occ:1.00 OE2 B:GLU70 2.0 17.4 1.0 O B:HOH428 2.1 19.4 1.0 O2S B:MES307 2.1 18.3 1.0 O B:HOH447 2.2 15.5 1.0 O B:HOH436 2.3 20.9 1.0 O3S B:MES307 2.4 17.2 1.0 S B:MES307 2.8 22.6 1.0 CD B:GLU70 3.2 17.0 1.0 OE1 B:GLU70 3.6 14.3 1.0 O1S B:MES307 3.8 16.8 1.0 MN B:MN302 3.9 14.4 1.0 O B:LEU42 3.9 15.8 1.0 NZ B:LYS36 3.9 18.2 1.0 O B:HOH578 4.0 34.4 1.0 OD1 B:ASP41 4.1 23.2 1.0 C8 B:MES307 4.1 10.5 1.0 OE2 B:GLU71 4.1 18.9 1.0 O B:HOH517 4.1 20.7 1.0 O B:HOH496 4.2 29.6 1.0 OG1 B:THR95 4.3 13.8 1.0 C7 B:MES307 4.3 26.1 1.0 O B:HOH472 4.4 15.1 1.0 CG B:GLU70 4.4 13.4 1.0 CD B:LYS36 4.6 24.8 1.0 O B:HOH559 4.7 36.8 1.0 CB B:THR95 4.8 13.2 1.0 CE B:LYS36 4.8 27.9 1.0 O B:HOH501 4.9 16.2 1.0

L.Kraft, S.M.Roe, R.Gill, J.R.Atack. Co-Crystallization of Human Inositol Monophosphatase with the Lithium Mimetic L-690,330. Acta Crystallogr D Struct V. 74 973 2018BIOL.
ISSN: ISSN 2059-7983
PubMed: 30289407
DOI: 10.1107/S2059798318010380