Nickel in PDB 4qhf: Crystal Structure of Methanocaldococcus Jannaschii Monomeric Selecase

The structure of Crystal Structure of Methanocaldococcus Jannaschii Monomeric Selecase, PDB code: 4qhf was solved by M.Lopez-Pelegrin, N.Cerda-Costa, A.Cintas-Pedrola, F.Herranz-Trillo, P.Bernado, J.R.Peinado, J.L.Arolas, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.70 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	51.260, 77.350, 31.110, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 28.1

The binding sites of Nickel atom in the Crystal Structure of Methanocaldococcus Jannaschii Monomeric Selecase (pdb code 4qhf). 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 Methanocaldococcus Jannaschii Monomeric Selecase, PDB code: 4qhf:

Nickel binding site 1 out of 1 in the Crystal Structure of Methanocaldococcus Jannaschii Monomeric Selecase


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 Methanocaldococcus Jannaschii Monomeric Selecase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:45.0 occ:1.00 NE2 A:HIS80 2.0 52.4 1.0 NE2 A:HIS73 2.1 40.9 1.0 NE2 A:HIS69 2.1 50.0 1.0 O A:HOH334 2.5 60.8 1.0 O A:HOH315 2.6 67.1 1.0 CE1 A:HIS69 2.6 48.9 1.0 CE1 A:HIS80 2.8 53.3 1.0 CE1 A:HIS73 2.9 42.2 1.0 CD2 A:HIS80 3.1 52.3 1.0 CD2 A:HIS73 3.2 38.0 1.0 CD2 A:HIS69 3.4 47.8 1.0 ND1 A:HIS69 3.8 47.0 1.0 O A:HOH318 4.0 48.5 1.0 ND1 A:HIS80 4.0 54.5 1.0 ND1 A:HIS73 4.1 41.8 1.0 CG A:HIS80 4.2 51.3 1.0 CG A:HIS69 4.2 43.9 1.0 CZ A:PHE84 4.3 40.3 1.0 CG A:HIS73 4.3 37.2 1.0 CE2 A:PHE84 4.9 41.8 1.0 CE1 A:PHE84 4.9 41.5 1.0

M.Lopez-Pelegrin, N.Cerda-Costa, A.Cintas-Pedrola, F.Herranz-Trillo, P.Bernado, J.R.Peinado, J.L.Arolas, F.X.Gomis-Ruth. Multiple Stable Conformations Account For Reversible Concentration-Dependent Oligomerization and Autoinhibition of A Metamorphic Metallopeptidase Angew.Chem.Int.Ed.Engl. V. 53 10624 2014.
ISSN: ISSN 1433-7851
PubMed: 25159620
DOI: 10.1002/ANIE.201405727