Nickel in PDB 4ufh: Mouse Galactocerebrosidase Complexed with Iso-Galacto- Fagomine Igf

All present enzymatic activity of Mouse Galactocerebrosidase Complexed with Iso-Galacto- Fagomine Igf:
3.2.1.46;

The structure of Mouse Galactocerebrosidase Complexed with Iso-Galacto- Fagomine Igf, PDB code: 4ufh was solved by C.H.Hill, A.H.Viuff, S.J.Spratley, S.Salamone, S.H.Christensen, R.J.Read, N.W.Moriarty, H.H.Jensen, J.E.Deane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.079 / 2.16
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	247.215, 247.215, 77.252, 90.00, 90.00, 120.00
R / Rfree (%)	19.04 / 21.55

The structure of Mouse Galactocerebrosidase Complexed with Iso-Galacto- Fagomine Igf also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Nickel atom in the Mouse Galactocerebrosidase Complexed with Iso-Galacto- Fagomine Igf (pdb code 4ufh). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Mouse Galactocerebrosidase Complexed with Iso-Galacto- Fagomine Igf, PDB code: 4ufh:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Mouse Galactocerebrosidase Complexed with Iso-Galacto- Fagomine Igf


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Mouse Galactocerebrosidase Complexed with Iso-Galacto- Fagomine Igf within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1002 b:61.5 occ:1.00 NE2 A:HIS538 2.2 59.4 1.0 NE2 A:HIS644 2.3 66.8 1.0 O A:HOH2214 2.9 69.4 1.0 CE1 A:HIS538 3.1 50.8 1.0 O A:HOH2213 3.1 44.9 1.0 CE1 A:HIS644 3.2 69.2 1.0 CD2 A:HIS644 3.2 63.0 1.0 CD2 A:HIS538 3.2 57.6 1.0 ND1 A:HIS538 4.2 49.5 1.0 ND1 A:HIS644 4.2 67.0 1.0 CG A:HIS644 4.3 62.6 1.0 CG A:HIS538 4.3 51.4 1.0 O A:HOH2209 4.7 53.5 1.0

Nickel binding site 2 out of 2 in the Mouse Galactocerebrosidase Complexed with Iso-Galacto- Fagomine Igf


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Mouse Galactocerebrosidase Complexed with Iso-Galacto- Fagomine Igf within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1004 b:90.1 occ:0.50 ND1 A:HIS168 2.1 52.4 1.0 O A:HOH2076 2.2 23.3 1.0 CE1 A:HIS168 3.0 36.4 1.0 CG A:HIS168 3.1 40.1 1.0 CB A:HIS168 3.5 37.8 1.0 NE2 A:HIS168 4.1 37.2 1.0 CD2 A:HIS168 4.2 37.8 1.0 NH2 A:ARG161 4.3 48.4 1.0 NH1 A:ARG161 4.7 38.5 1.0 O A:LEU164 4.8 35.3 1.0 CE2 A:TYR169 5.0 36.8 1.0 CZ A:ARG161 5.0 40.9 1.0

C.H.Hill, A.H.Viuff, S.J.Spratley, S.Salamone, S.H.Christensen, R.J.Read, N.W.Moriarty, H.H.Jensen, J.E.Deane. Azasugar Inhibitors As Pharmacological Chaperones For Krabbe Disease To Be Published.