Nickel in PDB 2qyi: Crystal Structure of A Binary Complex Between An Engineered Trypsin Inhibitor and Bovine Trypsin

The structure of Crystal Structure of A Binary Complex Between An Engineered Trypsin Inhibitor and Bovine Trypsin, PDB code: 2qyi was solved by S.Khamrui, J.Dasgupta, J.K.Dattagupta, U.Sen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	143.694, 77.437, 72.907, 90.00, 103.00, 90.00
R / Rfree (%)	20.8 / 26.8

The structure of Crystal Structure of A Binary Complex Between An Engineered Trypsin Inhibitor and Bovine Trypsin also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Nickel atom in the Crystal Structure of A Binary Complex Between An Engineered Trypsin Inhibitor and Bovine Trypsin (pdb code 2qyi). 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 A Binary Complex Between An Engineered Trypsin Inhibitor and Bovine Trypsin, PDB code: 2qyi:

Nickel binding site 1 out of 1 in the Crystal Structure of A Binary Complex Between An Engineered Trypsin Inhibitor and Bovine Trypsin


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 A Binary Complex Between An Engineered Trypsin Inhibitor and Bovine Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni992 b:27.1 occ:1.00 OE2 B:GLU772 1.6 30.0 1.0 ND1 B:HIS626 1.9 27.9 1.0 NE2 B:HIS727 1.9 33.4 1.0 CE1 B:HIS626 2.7 24.2 1.0 CD B:GLU772 2.8 32.0 1.0 CD2 B:HIS727 2.9 31.6 1.0 CE1 B:HIS727 2.9 33.0 1.0 CG B:HIS626 3.1 24.7 1.0 CG B:GLU772 3.4 33.8 1.0 CB B:HIS626 3.7 24.7 1.0 OE1 B:GLU772 3.8 33.0 1.0 NE2 B:HIS626 3.9 23.1 1.0 ND1 B:HIS727 4.0 30.8 1.0 CG B:HIS727 4.0 32.0 1.0 CD2 B:HIS626 4.1 21.8 1.0 CG1 B:VAL732 4.5 23.1 1.0 CB B:GLU772 4.7 33.5 1.0 CG2 B:VAL732 4.8 22.6 1.0 CG1 B:VAL725 4.8 30.6 1.0 CB B:VAL732 4.9 24.1 1.0 CD1 B:ILE627 4.9 25.7 1.0 CG1 B:ILE627 4.9 31.6 1.0

U.Sen, S.Khamrui, J.Dasgupta, J.K.Dattagupta, U.Sen. N/A N/A.