Nickel in PDB 4zxh: Crystal Structure of Holo-AB3403 A Four Domain Nonribosomal Peptide Synthetase From Acinetobacter Baumanii

The structure of Crystal Structure of Holo-AB3403 A Four Domain Nonribosomal Peptide Synthetase From Acinetobacter Baumanii, PDB code: 4zxh was solved by E.J.Drake, B.R.Miller, C.L.Allen, A.M.Gulick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.80 / 2.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	116.187, 116.187, 348.607, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 23.4

The structure of Crystal Structure of Holo-AB3403 A Four Domain Nonribosomal Peptide Synthetase From Acinetobacter Baumanii also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Nickel atom in the Crystal Structure of Holo-AB3403 A Four Domain Nonribosomal Peptide Synthetase From Acinetobacter Baumanii (pdb code 4zxh). 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 Holo-AB3403 A Four Domain Nonribosomal Peptide Synthetase From Acinetobacter Baumanii, PDB code: 4zxh:

Nickel binding site 1 out of 1 in the Crystal Structure of Holo-AB3403 A Four Domain Nonribosomal Peptide Synthetase From Acinetobacter Baumanii


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 Holo-AB3403 A Four Domain Nonribosomal Peptide Synthetase From Acinetobacter Baumanii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1404 b:50.9 occ:1.00 N A:HIS0 1.7 78.7 1.0 ND1 A:HIS0 2.1 52.5 1.0 CB A:HIS0 2.2 70.0 1.0 CA A:HIS0 2.3 68.8 1.0 CG A:HIS0 2.4 59.5 1.0 C A:GLY-1 2.6 81.1 1.0 CA A:GLY-1 3.3 74.3 1.0 N A:GLY-1 3.4 53.2 1.0 CE1 A:HIS0 3.4 47.4 1.0 O A:GLY-1 3.5 77.0 1.0 C A:HIS0 3.5 58.7 1.0 CD2 A:HIS0 3.7 54.1 1.0 N A:MET1 4.1 85.2 1.0 NE2 A:HIS0 4.1 47.9 1.0 O A:HIS0 4.4 62.7 1.0 CD2 A:PHE94 4.6 66.7 1.0 CB A:PHE94 4.8 44.6 1.0

E.J.Drake, B.R.Miller, C.Shi, J.T.Tarrasch, J.A.Sundlov, C.L.Allen, G.Skiniotis, C.C.Aldrich, A.M.Gulick. Structures of Two Distinct Conformations of Holo-Non-Ribosomal Peptide Synthetases. Nature V. 529 235 2016.
ISSN: ESSN 1476-4687
PubMed: 26762461
DOI: 10.1038/NATURE16163