Nickel in PDB 5k7h: Crystal Structure of Aibr in Complex with the Effector Molecule Isovaleryl Coenzyme A

The structure of Crystal Structure of Aibr in Complex with the Effector Molecule Isovaleryl Coenzyme A, PDB code: 5k7h was solved by T.Bock, C.Volz, R.Mueller, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.89 / 2.35
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	89.780, 89.780, 132.118, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 23.5

The structure of Crystal Structure of Aibr in Complex with the Effector Molecule Isovaleryl Coenzyme A also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Nickel atom in the Crystal Structure of Aibr in Complex with the Effector Molecule Isovaleryl Coenzyme A (pdb code 5k7h). 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 Aibr in Complex with the Effector Molecule Isovaleryl Coenzyme A, PDB code: 5k7h:

Nickel binding site 1 out of 1 in the Crystal Structure of Aibr in Complex with the Effector Molecule Isovaleryl 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 Aibr in Complex with the Effector Molecule Isovaleryl Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni301 b:43.9 occ:1.00 NE2 A:HIS96 1.9 44.9 1.0 CL A:CL303 2.2 46.9 1.0 CL A:CL302 2.2 50.0 1.0 CE1 A:HIS96 2.8 37.2 1.0 HE1 A:HIS96 2.9 44.7 1.0 CD2 A:HIS96 3.0 37.4 1.0 HD2 A:HIS96 3.3 44.9 1.0 HB1 A:ALA92 3.7 50.6 1.0 ND1 A:HIS96 4.0 39.6 1.0 CG A:HIS96 4.1 39.8 1.0 HG12 A:VAL80 4.4 46.2 1.0 CB A:ALA92 4.6 42.1 1.0 HB2 A:ALA92 4.7 50.6 1.0 HA A:ALA92 4.7 45.8 1.0 HD1 A:HIS96 4.7 47.5 1.0

T.Bock, C.Volz, V.Hering, A.Scrima, R.Muller, W.Blankenfeldt. The Aibr-Isovaleryl Coenzyme A Regulator and Its Dna Binding Site - A Model For the Regulation of Alternative De Novo Isovaleryl Coenzyme A Biosynthesis in Myxococcus Xanthus. Nucleic Acids Res. V. 45 2166 2017.
ISSN: ESSN 1362-4962
PubMed: 27940564
DOI: 10.1093/NAR/GKW1238