Nickel in PDB 6ebs: Crystal Structure of Leishmania Major Dihydroorotate Dehydrogenase Mutant H174A in Complex with Orotate

All present enzymatic activity of Crystal Structure of Leishmania Major Dihydroorotate Dehydrogenase Mutant H174A in Complex with Orotate:
1.3.98.1;

The structure of Crystal Structure of Leishmania Major Dihydroorotate Dehydrogenase Mutant H174A in Complex with Orotate, PDB code: 6ebs was solved by R.A.G.Reis, M.P.Pinheiro, A.L.De Souza, W.N.Hunter, M.C.Nonato, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.58 / 2.05
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	144.279, 144.279, 69.913, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 20.5

The binding sites of Nickel atom in the Crystal Structure of Leishmania Major Dihydroorotate Dehydrogenase Mutant H174A in Complex with Orotate (pdb code 6ebs). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Leishmania Major Dihydroorotate Dehydrogenase Mutant H174A in Complex with Orotate, PDB code: 6ebs:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of Leishmania Major Dihydroorotate Dehydrogenase Mutant H174A in Complex with Orotate


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Leishmania Major Dihydroorotate Dehydrogenase Mutant H174A in Complex with Orotate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni407 b:62.4 occ:0.40 NI B:NI407 0.0 62.4 0.4 NI B:NI407 2.3 73.4 0.6 O B:HOH590 3.1 16.1 1.0 CE1 B:TYR142 3.2 32.8 1.0 CZ B:TYR142 3.5 37.0 1.0 CD1 B:TYR142 3.7 35.4 1.0 OH B:TYR142 3.8 22.5 1.0 CD2 B:PHE170 3.9 11.9 1.0 O A:HOH553 4.1 40.3 1.0 CE2 B:TYR142 4.1 39.8 1.0 O A:HOH604 4.2 18.2 1.0 O B:PRO168 4.2 10.5 1.0 O B:HOH699 4.3 35.2 1.0 CE2 B:PHE170 4.3 11.2 1.0 CG B:TYR142 4.3 38.5 1.0 O B:HOH513 4.4 34.0 1.0 CD2 B:TYR142 4.5 41.5 1.0 CD1 B:TYR169 4.7 14.4 1.0 CD2 A:PHE170 4.7 10.2 1.0 CA B:TYR169 4.7 12.0 1.0 N B:PHE170 4.9 11.5 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of Leishmania Major Dihydroorotate Dehydrogenase Mutant H174A in Complex with Orotate


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Leishmania Major Dihydroorotate Dehydrogenase Mutant H174A in Complex with Orotate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni407 b:73.4 occ:0.60 NI B:NI407 0.0 73.4 0.6 NI B:NI407 2.3 62.4 0.4 O A:HOH604 3.2 18.2 1.0 O A:HOH553 3.6 40.3 1.0 O B:HOH590 3.9 16.1 1.0 O B:HOH513 3.9 34.0 1.0 O A:HOH750 4.0 46.7 1.0 CE1 A:TYR142 4.1 22.7 1.0 O A:HOH650 4.1 38.6 1.0 CZ A:TYR142 4.1 23.1 1.0 CD1 A:TYR142 4.2 26.1 1.0 CE2 A:TYR142 4.3 25.9 1.0 CG A:TYR142 4.4 34.3 1.0 CD2 A:TYR142 4.4 28.1 1.0 OH A:TYR142 4.6 18.5 1.0 CD2 A:PHE170 4.6 10.2 1.0 O B:HOH699 4.9 35.2 1.0 O A:HOH740 4.9 44.6 1.0 CD2 B:PHE170 5.0 11.9 1.0

R.A.G.Reis, M.P.Pinheiro, A.L.De Souza, W.N.Hunter, M.C.Nonato. Crystal Structure of Leishmania Major Dihydroorotate Dehydrogenase Mutant H174A in Complex with Orotate To Be Published.