Nickel in PDB 2h9k: Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam

All present enzymatic activity of Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam:
3.2.1.17;

The structure of Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam, PDB code: 2h9k was solved by I.W.Mcnae, T.M.Hunter, P.J.Sadler, M.D.Walkinshaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.64 / 1.75
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.324, 77.324, 37.948, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 24.6

The structure of Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Nickel atom in the Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam (pdb code 2h9k). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam, PDB code: 2h9k:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:0.6 occ:1.00 NI1 A:MM6201 0.0 0.6 1.0 N11 A:MM6201 2.0 0.3 1.0 N4 A:MM6201 2.0 0.3 1.0 N14 A:MM6201 2.0 0.0 1.0 N7 A:MM6201 2.0 0.3 1.0 C12 A:MM6201 2.9 0.9 1.0 C5 A:MM6201 2.9 0.2 1.0 C13 A:MM6201 3.0 0.9 1.0 C6 A:MM6201 3.0 0.2 1.0 C1 A:MM6201 3.0 0.9 1.0 C8 A:MM6201 3.0 0.3 1.0 C3 A:MM6201 3.0 0.3 1.0 C10 A:MM6201 3.0 0.3 1.0 C2 A:MM6201 3.1 0.2 1.0 C9 A:MM6201 3.1 0.3 1.0 OD1 A:ASP101 4.1 37.8 1.0 OD2 A:ASP101 4.4 36.3 1.0 CH2 A:TRP62 4.6 26.5 1.0 CZ3 A:TRP62 4.6 25.6 1.0 CG A:ASP101 4.7 33.7 1.0 CZ2 A:TRP62 4.8 27.4 1.0 CE3 A:TRP62 4.9 26.9 1.0

Nickel binding site 2 out of 2 in the Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Structure of Hen Egg White Lysozyme Soaked with Ni-Cyclam within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni202 b:54.1 occ:1.00 NI1 A:MM6202 0.0 54.1 1.0 N7 A:MM6202 2.0 56.7 1.0 N11 A:MM6202 2.0 56.9 1.0 N14 A:MM6202 2.0 56.1 1.0 N4 A:MM6202 2.0 55.9 1.0 O A:HOH320 2.6 39.5 1.0 C6 A:MM6202 2.9 56.2 1.0 C12 A:MM6202 3.0 56.0 1.0 C5 A:MM6202 3.0 54.9 1.0 C13 A:MM6202 3.0 55.0 1.0 C1 A:MM6202 3.0 54.5 1.0 C10 A:MM6202 3.0 55.6 1.0 C8 A:MM6202 3.0 56.8 1.0 C3 A:MM6202 3.0 54.1 1.0 C2 A:MM6202 3.1 53.4 1.0 C9 A:MM6202 3.1 56.6 1.0 NH2 A:ARG125 3.9 49.5 1.0 NH1 A:ARG125 4.8 45.6 1.0 CZ A:ARG125 4.8 46.6 1.0 CH2 A:TRP123 4.9 20.5 1.0

T.M.Hunter, I.W.Mcnae, D.P.Simpson, A.M.Smith, S.Moggach, F.White, M.D.Walkinshaw, S.Parsons, P.J.Sadler. Configurations of Nickel-Cyclam Antiviral Complexes and Protein Recognition. Chemistry V. 13 40 2007.
ISSN: ISSN 0947-6539
PubMed: 17120266
DOI: 10.1002/CHEM.200601334