Nickel in PDB 4mtq: Ni-Bound GLOA2

All present enzymatic activity of Ni-Bound GLOA2:
4.4.1.5;

The structure of Ni-Bound GLOA2, PDB code: 4mtq was solved by R.Bythell-Douglas, C.S.Bond, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.41 / 2.17
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.145, 74.983, 80.362, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23.3

The binding sites of Nickel atom in the Ni-Bound GLOA2 (pdb code 4mtq). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the Ni-Bound GLOA2, PDB code: 4mtq:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Ni-Bound GLOA2


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Ni-Bound GLOA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:35.6 occ:1.00 O A:HOH301 1.9 42.7 1.0 NE2 A:HIS5 2.0 34.1 1.0 OE1 B:GLU122 2.1 37.9 1.0 NE2 B:HIS74 2.2 34.9 1.0 OE1 A:GLU56 2.2 31.9 1.0 CE1 A:HIS5 2.9 33.2 1.0 CD2 A:HIS5 3.0 34.1 1.0 CD B:GLU122 3.1 43.9 1.0 CE1 B:HIS74 3.1 34.9 1.0 CD2 B:HIS74 3.2 34.3 1.0 CD A:GLU56 3.3 47.4 1.0 OE2 B:GLU122 3.5 44.3 1.0 OE2 A:GLU56 3.8 54.9 1.0 ND1 A:HIS5 4.1 33.8 1.0 CG A:HIS5 4.1 32.0 1.0 CB B:ALA76 4.3 31.3 1.0 ND1 B:HIS74 4.3 35.6 1.0 CG B:HIS74 4.3 32.5 1.0 CG B:GLU122 4.4 40.3 1.0 CB A:MET7 4.5 31.4 1.0 CG A:GLU56 4.6 27.1 1.0 CB B:GLU122 4.7 35.1 1.0 CD1 B:ILE124 4.8 38.6 1.0 CB A:GLU56 4.8 29.9 1.0 CG A:MET7 4.9 35.6 1.0 CZ A:PHE43 4.9 38.7 1.0

Nickel binding site 2 out of 3 in the Ni-Bound GLOA2


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Ni-Bound GLOA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni202 b:55.7 occ:1.00 O A:HOH327 1.9 35.7 1.0 NE2 A:HIS59 2.1 44.9 1.0 O A:ALA11 2.2 47.7 1.0 CD2 A:HIS59 3.0 45.1 1.0 CE1 A:HIS59 3.1 44.6 1.0 C A:ALA11 3.3 46.9 1.0 O A:ARG63 3.8 61.8 1.0 CG A:HIS59 4.2 43.5 1.0 CA A:ALA11 4.2 41.4 1.0 ND1 A:HIS59 4.2 45.5 1.0 O A:HOH321 4.3 46.8 1.0 N A:ASP12 4.3 43.0 1.0 O A:TRP61 4.3 52.2 1.0 O A:ASN60 4.3 47.3 1.0 CA A:ASP12 4.4 41.9 1.0 CA A:TRP61 4.7 48.6 1.0 C A:TRP61 4.7 52.9 1.0 C A:ARG63 5.0 62.6 1.0

Nickel binding site 3 out of 3 in the Ni-Bound GLOA2


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Ni-Bound GLOA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni203 b:39.7 occ:1.00 O B:HOH601 2.0 44.7 1.0 NE2 A:HIS74 2.0 34.9 1.0 NE2 B:HIS5 2.1 36.7 1.0 OE1 B:GLU56 2.3 35.3 1.0 OE1 A:GLU122 2.4 34.9 1.0 CE1 A:HIS74 2.7 34.3 1.0 CE1 B:HIS5 3.1 36.3 1.0 CD2 B:HIS5 3.2 36.9 1.0 CD2 A:HIS74 3.2 34.9 1.0 CD B:GLU56 3.4 39.6 1.0 CD A:GLU122 3.4 65.1 1.0 OE2 A:GLU122 3.7 73.3 1.0 OE2 B:GLU56 3.8 45.5 1.0 ND1 A:HIS74 4.0 34.5 1.0 CG A:HIS74 4.2 32.8 1.0 ND1 B:HIS5 4.2 36.9 1.0 CB A:ALA76 4.3 28.1 1.0 CG B:HIS5 4.3 35.2 1.0 CB B:MET7 4.6 33.8 1.0 CG B:GLU56 4.6 33.9 1.0 CG A:GLU122 4.7 45.1 1.0 CG B:MET7 4.7 39.0 1.0 CB B:GLU56 4.8 28.6 1.0 CZ B:PHE43 4.8 37.0 1.0 CB A:GLU122 4.9 37.4 1.0 CD1 A:ILE124 4.9 48.4 1.0

R.Bythell-Douglas, G.R.Flematti, M.Challenor, U.Suttisansanee, J.F.Honek, C.S.Bond. Ni-Bound GLOA2 To Be Published.