Nickel in PDB 3ne7: Crystal Structure of Paia N-Acetyltransferase From Thermoplasma Acidophilum in Complex with Coenzyme A

The structure of Crystal Structure of Paia N-Acetyltransferase From Thermoplasma Acidophilum in Complex with Coenzyme A, PDB code: 3ne7 was solved by E.V.Filippova, G.Minasov, L.Shuvalova, O.Kiryukhina, S.Clancy, A.Joachimiak, F.W.Anderson, Midwest Center For Structural Genomics(Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.01 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.224, 69.224, 90.628, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.8

The binding sites of Nickel atom in the Crystal Structure of Paia N-Acetyltransferase From Thermoplasma Acidophilum in Complex with Coenzyme A (pdb code 3ne7). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of Paia N-Acetyltransferase From Thermoplasma Acidophilum in Complex with Coenzyme A, PDB code: 3ne7:

Nickel binding site 1 out of 1 in the Crystal Structure of Paia N-Acetyltransferase From Thermoplasma Acidophilum in Complex with Coenzyme A


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 Paia N-Acetyltransferase From Thermoplasma Acidophilum in Complex with Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni160 b:18.8 occ:0.50 O8A A:COA161 1.9 20.7 1.0 NE2 A:HIS100 2.0 21.4 1.0 CD2 A:HIS100 2.9 20.1 1.0 P3B A:COA161 2.9 21.9 1.0 CE1 A:HIS100 3.1 21.5 1.0 O7A A:COA161 3.1 21.9 1.0 O3B A:COA161 4.0 19.9 1.0 O A:HOH173 4.0 30.3 1.0 C3B A:COA161 4.1 21.7 1.0 O9A A:COA161 4.1 19.1 1.0 CG A:HIS100 4.1 23.1 1.0 ND1 A:HIS100 4.1 20.8 1.0 C2B A:COA161 4.5 23.8 1.0 O A:HOH214 4.8 39.7 1.0 N3A A:COA161 4.9 23.1 1.0

E.V.Filippova, L.Shuvalova, G.Minasov, O.Kiryukhina, Y.Zhang, S.Clancy, I.Radhakrishnan, A.Joachimiak, W.F.Anderson. Crystal Structure of the Novel Paia N-Acetyltransferase From Thermoplasma Acidophilum Involved in the Negative Control of Sporulation and Degradative Enzyme Production. Proteins V. 79 2566 2011.
ISSN: ISSN 0887-3585
PubMed: 21633970
DOI: 10.1002/PROT.23062