Nickel in PDB 4lvn: Crystal Structure of PFSUB1-Prodomain-Nimp.M7 Fab Complex

All present enzymatic activity of Crystal Structure of PFSUB1-Prodomain-Nimp.M7 Fab Complex:
3.4.21.61;

The structure of Crystal Structure of PFSUB1-Prodomain-Nimp.M7 Fab Complex, PDB code: 4lvn was solved by C.Withers-Martinez, M.J.Blackman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.500, 74.790, 78.850, 90.00, 103.33, 90.00
R / Rfree (%)	19.5 / 23.7

The structure of Crystal Structure of PFSUB1-Prodomain-Nimp.M7 Fab Complex also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Nickel atom in the Crystal Structure of PFSUB1-Prodomain-Nimp.M7 Fab Complex (pdb code 4lvn). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of PFSUB1-Prodomain-Nimp.M7 Fab Complex, PDB code: 4lvn:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of PFSUB1-Prodomain-Nimp.M7 Fab Complex


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 PFSUB1-Prodomain-Nimp.M7 Fab Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni701 b:81.9 occ:1.00 NE2 A:HIS464 2.8 46.8 1.0 OE1 A:GLU463 2.9 59.9 1.0 CD2 A:HIS464 3.4 43.2 1.0 CE1 A:HIS464 3.8 43.7 1.0 CD A:GLU463 3.9 56.7 1.0 CG A:GLU463 4.5 50.9 1.0 CG A:HIS464 4.6 42.5 1.0 ND1 A:HIS464 4.7 43.3 1.0 OE2 A:GLU463 4.8 55.4 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of PFSUB1-Prodomain-Nimp.M7 Fab Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of PFSUB1-Prodomain-Nimp.M7 Fab Complex within 5.0Å range: probe atom residue distance (Å) B Occ P:Ni301 b:55.6 occ:1.00 ND1 P:HIS146 2.9 68.4 1.0 CB P:HIS146 3.6 66.4 1.0 CG P:HIS146 3.6 67.7 1.0 CA P:HIS146 3.9 67.3 1.0 CE1 P:HIS146 4.0 68.7 1.0 O P:HIS146 4.0 64.6 1.0 C P:HIS146 4.4 66.0 1.0 CD2 P:HIS146 4.9 66.0 1.0 NE2 P:HIS146 5.0 67.1 1.0

C.Withers-Martinez, M.Strath, F.Hackett, L.F.Haire, S.A.Howell, P.A.Walker, C.Evangelos, G.G.Dodson, M.J.Blackman. The Malaria Parasite Egress Protease SUB1 Is A Calcium-Dependent Redox Switch Subtilisin. Nat Commun V. 5 3726 2014.
ISSN: ESSN 2041-1723
PubMed: 24785947
DOI: 10.1038/NCOMMS4726