Nickel in PDB 2esu: Crystal Structure of Asn to Gln Mutant of Winged Bean Chymotrypsin Inhibitor Protein

The structure of Crystal Structure of Asn to Gln Mutant of Winged Bean Chymotrypsin Inhibitor Protein, PDB code: 2esu was solved by J.K.Dattagupta, U.Sen, J.Dasgupta, S.Khamrui, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.94
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	60.900, 60.900, 213.210, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 23.8

The binding sites of Nickel atom in the Crystal Structure of Asn to Gln Mutant of Winged Bean Chymotrypsin Inhibitor Protein (pdb code 2esu). 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 Asn to Gln Mutant of Winged Bean Chymotrypsin Inhibitor Protein, PDB code: 2esu:

Nickel binding site 1 out of 1 in the Crystal Structure of Asn to Gln Mutant of Winged Bean Chymotrypsin Inhibitor Protein


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 Asn to Gln Mutant of Winged Bean Chymotrypsin Inhibitor Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni196 b:44.8 occ:1.00 OE2 A:GLU172 1.9 37.1 1.0 ND1 A:HIS26 2.3 38.6 1.0 CD A:GLU172 2.9 35.2 1.0 CE1 A:HIS26 3.1 42.1 1.0 OE1 A:GLU172 3.3 35.4 1.0 CG A:HIS26 3.4 37.8 1.0 O A:HOH332 3.7 44.7 1.0 CB A:HIS26 3.8 32.1 1.0 CG A:GLU172 4.2 31.8 1.0 NE2 A:HIS26 4.3 43.4 1.0 CD2 A:HIS26 4.5 39.5 1.0 CB A:GLU172 4.5 31.0 1.0 CG1 A:ILE27 4.5 27.1 1.0 CD1 A:ILE27 4.5 27.8 1.0 CG1 A:VAL132 4.7 28.3 1.0 O A:HOH207 4.9 16.8 1.0

J.Dasgupta, S.Khamrui, J.K.Dattagupta, U.Sen. Spacer Asn Determines the Fate of Kunitz (Sti) Inhibitors, As Revealed By Structural and Biochemical Studies on Wci Mutants. Biochemistry V. 45 6783 2006.
ISSN: ISSN 0006-2960
PubMed: 16734415
DOI: 10.1021/BI060374Q