Nickel in PDB 3tsn: 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni

All present enzymatic activity of 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni:
1.1.1.262;

The structure of 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni, PDB code: 3tsn was solved by J.Osipiuk, M.Gu, K.Kwon, W.F.Anderson, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.50 / 2.63
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	141.938, 141.938, 121.004, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 24.1

The binding sites of Nickel atom in the 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni (pdb code 3tsn). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni, PDB code: 3tsn:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in the 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni501 b:36.3 occ:1.00 NE2 A:HIS177 1.9 45.3 1.0 NE2 B:HIS216 2.1 39.6 1.0 NE2 A:HIS301 2.2 33.7 1.0 O3 A:UNL601 2.3 46.6 1.0 O2 A:UNL601 2.5 27.4 1.0 O19 A:UNL601 2.5 41.9 1.0 CE1 A:HIS177 2.8 42.3 1.0 CD2 A:HIS177 3.1 41.9 1.0 CD2 B:HIS216 3.1 39.8 1.0 CE1 A:HIS301 3.1 31.1 1.0 CE1 B:HIS216 3.1 43.5 1.0 O1 A:UNL601 3.2 21.1 1.0 CD2 A:HIS301 3.2 32.1 1.0 ND1 A:HIS177 4.0 37.7 1.0 CG A:HIS177 4.1 37.1 1.0 ND1 A:HIS301 4.2 31.9 1.0 OD2 B:ASP282 4.2 57.4 1.0 ND1 B:HIS216 4.3 38.8 1.0 CG B:HIS216 4.3 38.1 1.0 CG A:HIS301 4.3 30.0 1.0 O17 A:UNL601 4.5 52.3 1.0 CD2 A:LEU305 4.8 37.0 1.0

Nickel binding site 2 out of 4 in the 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni501 b:35.0 occ:1.00 NE2 B:HIS177 2.0 41.8 1.0 NE2 A:HIS216 2.1 40.0 1.0 O3 B:UNL601 2.2 28.9 1.0 NE2 B:HIS301 2.2 38.3 1.0 O2 B:UNL601 2.5 34.8 1.0 O20 B:UNL601 2.9 31.9 1.0 O1 B:UNL601 2.9 15.3 1.0 CE1 B:HIS177 2.9 41.9 1.0 CE1 A:HIS216 3.0 40.9 1.0 CD2 B:HIS177 3.1 40.4 1.0 CD2 B:HIS301 3.2 36.3 1.0 CD2 A:HIS216 3.2 38.4 1.0 CE1 B:HIS301 3.2 35.8 1.0 ND1 B:HIS177 4.1 38.9 1.0 ND1 A:HIS216 4.2 39.3 1.0 CG B:HIS177 4.2 39.3 1.0 CG A:HIS216 4.3 37.9 1.0 ND1 B:HIS301 4.3 33.8 1.0 CG B:HIS301 4.3 32.9 1.0 OD2 A:ASP282 4.5 55.2 1.0 O18 B:UNL601 4.6 47.4 1.0 CD2 B:LEU305 4.9 39.5 1.0

Nickel binding site 3 out of 4 in the 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni501 b:36.4 occ:1.00 NE2 D:HIS216 2.1 43.9 1.0 NE2 C:HIS177 2.1 40.3 1.0 NE2 C:HIS301 2.2 36.2 1.0 O3 C:UNL601 2.2 33.7 1.0 O2 C:UNL601 2.7 31.7 1.0 O1 C:UNL601 2.7 23.8 1.0 CE1 D:HIS216 2.9 44.6 1.0 O19 C:UNL601 2.9 38.0 1.0 CE1 C:HIS301 3.0 35.5 1.0 CE1 C:HIS177 3.0 42.1 1.0 CD2 C:HIS177 3.2 38.4 1.0 CD2 C:HIS301 3.3 34.2 1.0 CD2 D:HIS216 3.3 41.8 1.0 ND1 D:HIS216 4.1 41.9 1.0 ND1 C:HIS301 4.2 30.3 1.0 ND1 C:HIS177 4.2 37.1 1.0 OD2 D:ASP282 4.3 55.5 1.0 CG C:HIS177 4.3 36.7 1.0 CG D:HIS216 4.3 39.1 1.0 CG C:HIS301 4.3 33.2 1.0 O17 C:UNL601 4.7 43.7 1.0

Nickel binding site 4 out of 4 in the 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ D:Ni501 b:38.3 occ:1.00 NE2 D:HIS177 2.0 47.0 1.0 NE2 C:HIS216 2.1 45.8 1.0 O3 D:UNL601 2.4 35.0 1.0 NE2 D:HIS301 2.5 39.1 1.0 O2 D:UNL601 2.6 35.2 1.0 CE1 D:HIS177 2.7 47.0 1.0 O17 D:UNL601 2.9 33.2 1.0 CE1 C:HIS216 3.0 45.5 1.0 O1 D:UNL601 3.1 24.0 1.0 CD2 C:HIS216 3.2 45.1 1.0 CD2 D:HIS301 3.2 36.5 1.0 CD2 D:HIS177 3.3 44.9 1.0 CE1 D:HIS301 3.6 36.8 1.0 ND1 D:HIS177 4.0 42.8 1.0 ND1 C:HIS216 4.1 41.6 1.0 CG D:HIS177 4.2 41.7 1.0 OD2 C:ASP282 4.3 57.6 1.0 CG C:HIS216 4.3 42.0 1.0 CG D:HIS301 4.5 35.5 1.0 ND1 D:HIS301 4.6 33.4 1.0 O15 D:UNL601 4.7 52.1 1.0 CD2 D:LEU305 4.8 33.5 1.0

J.Osipiuk, M.Gu, K.Kwon, W.F.Anderson, A.Joachimiak. 4-Hydroxythreonine-4-Phosphate Dehydrogenase From Campylobacter Jejuni. To Be Published.