Nickel in PDB 4q6t: The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5

The structure of The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5, PDB code: 4q6t was solved by K.Tan, J.C.Mack, M.Endres, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.46 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.022, 57.327, 110.797, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 17.2

The structure of The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5 also contains other interesting chemical elements:

Cadmium	(Cd)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Nickel atom in the The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5 (pdb code 4q6t). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5, PDB code: 4q6t:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni401 b:19.6 occ:0.60 O A:HOH806 2.2 31.4 1.0 O A:HOH707 2.3 43.4 1.0 ND1 A:HIS274 2.3 18.5 1.0 O A:HOH637 2.4 29.0 1.0 O A:HOH635 2.5 25.1 1.0 O A:HOH882 3.0 38.8 1.0 CE1 A:HIS274 3.1 20.2 1.0 CG A:HIS274 3.4 16.7 1.0 CB A:HIS274 3.8 15.3 1.0 OG A:SER276 4.0 22.3 1.0 NE2 A:HIS274 4.3 19.9 1.0 O A:GLY352 4.3 16.0 1.0 CD2 A:HIS274 4.4 18.8 1.0 O A:HOH517 4.7 20.7 1.0 O A:HOH787 4.7 40.7 1.0 CA A:TYR353 4.8 13.4 1.0 O A:HOH565 4.8 26.0 1.0 O A:HOH750 4.9 28.5 1.0

Nickel binding site 2 out of 3 in the The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni402 b:25.5 occ:0.61 O A:HOH883 2.0 37.8 1.0 O A:HOH842 2.0 30.2 1.0 NE2 A:HIS285 2.1 29.4 1.0 O A:HOH858 2.1 36.1 1.0 O A:HOH826 2.2 40.1 1.0 O A:HOH653 2.3 37.9 1.0 CE1 A:HIS285 2.9 29.3 1.0 CD2 A:HIS285 3.1 28.4 1.0 OE2 A:GLU284 3.7 41.7 1.0 OE1 A:GLU284 4.0 41.0 1.0 CD A:GLU284 4.0 39.8 1.0 OD2 A:ASP266 4.1 21.4 1.0 ND1 A:HIS285 4.1 28.9 1.0 CG A:HIS285 4.2 28.0 1.0 OG A:SER268 4.3 20.8 1.0 O A:HOH661 4.4 30.4 1.0 CZ2 A:TRP302 4.8 23.1 1.0 CG2 A:ILE281 5.0 23.1 1.0

Nickel binding site 3 out of 3 in the The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni403 b:18.8 occ:0.89 O A:HOH880 2.0 22.6 1.0 NE2 A:HIS290 2.0 19.5 1.0 O A:HOH548 2.1 24.1 1.0 O A:HOH881 2.1 18.2 1.0 O A:HOH645 2.1 27.2 1.0 CD2 A:HIS290 3.0 19.2 1.0 CE1 A:HIS290 3.1 19.6 1.0 ND1 A:HIS290 4.2 18.7 1.0 CG A:HIS290 4.2 18.7 1.0 O A:HOH532 4.4 18.1 1.0 O A:ARG291 4.6 15.9 1.0 OH A:TYR299 4.6 21.6 1.0

K.Tan, J.C.Mack, M.Endres, A.Joachimiak. The Crystal Structure of A Class V Chitininase From Pseudomonas Fluorescens Pf-5 To Be Published.