Nickel in PDB 9axn: Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_MU Fab in Complex with Fentanyl

The structure of Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_MU Fab in Complex with Fentanyl, PDB code: 9axn was solved by J.V.Rodarte, M.Pancera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.37 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	69.777, 98.238, 159.724, 77.73, 85.32, 77.95
R / Rfree (%)	22.4 / 26.3

The binding sites of Nickel atom in the Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_MU Fab in Complex with Fentanyl (pdb code 9axn). 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 Anti-Fentanyl Antibody HY11-6B2_MU Fab in Complex with Fentanyl, PDB code: 9axn:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_MU Fab in Complex with Fentanyl


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 Anti-Fentanyl Antibody HY11-6B2_MU Fab in Complex with Fentanyl within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni303 b:92.3 occ:1.00 N C:GLY8 3.5 17.3 1.0 CA C:SER7 4.1 25.3 1.0 CB C:SER7 4.3 19.6 1.0 C C:SER7 4.3 26.8 1.0 CA C:GLY8 4.3 19.9 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_MU Fab in Complex with Fentanyl


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 Anti-Fentanyl Antibody HY11-6B2_MU Fab in Complex with Fentanyl within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni302 b:77.7 occ:1.00 OG1 B:THR31 3.0 37.5 1.0 N B:THR31 3.7 35.2 1.0 N F:GLY66 3.8 27.1 1.0 CB F:SER65 4.2 26.7 1.0 CB B:THR31 4.2 40.8 1.0 CA B:GLY30 4.3 35.4 1.0 C B:GLY30 4.3 38.7 1.0 CA F:GLY66 4.3 27.2 1.0 OD1 B:ASN32 4.4 56.6 1.0 O F:HOH415 4.4 34.1 1.0 CA B:THR31 4.5 38.1 1.0 CG2 B:THR31 4.6 32.3 1.0 OG F:SER65 4.7 26.2 1.0 C F:SER65 4.7 30.0 1.0 C F:GLY66 4.8 26.7 1.0 CA F:SER65 4.8 24.2 1.0 O F:GLY66 5.0 28.5 1.0

J.V.Rodarte, M.Pravetoni. Structure-Based Engineering of Monoclonal Antibodies Against Fentanyl and Carfentanil For Improved Binding To Be Published.