Nickel in PDB 5dqv: The Crystal Structure of Bacillus Subtilis Ypgq

The structure of The Crystal Structure of Bacillus Subtilis Ypgq, PDB code: 5dqv was solved by Y.J.Jeon, W.S.Song, S.I.Yoon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.061, 53.432, 82.610, 90.00, 94.13, 90.00
R / Rfree (%)	18.8 / 22.8

The binding sites of Nickel atom in the The Crystal Structure of Bacillus Subtilis Ypgq (pdb code 5dqv). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the The Crystal Structure of Bacillus Subtilis Ypgq, PDB code: 5dqv:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the The Crystal Structure of Bacillus Subtilis Ypgq


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 Bacillus Subtilis Ypgq within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni301 b:29.6 occ:1.00 NE2 A:HIS58 2.0 28.6 1.0 NE2 A:HIS29 2.2 21.3 1.0 OD1 A:ASP124 2.2 25.6 1.0 O A:HOH484 2.6 45.2 1.0 OD1 A:ASP59 2.8 40.3 1.0 CE1 A:HIS58 2.9 28.6 1.0 CG A:ASP124 3.0 24.3 1.0 CD2 A:HIS58 3.1 27.9 1.0 CD2 A:HIS29 3.1 23.7 1.0 CE1 A:HIS29 3.2 25.6 1.0 OD2 A:ASP124 3.2 28.9 1.0 CG A:ASP59 3.7 36.2 1.0 OD2 A:ASP59 4.0 40.9 1.0 ND1 A:HIS58 4.0 26.2 1.0 CG A:HIS58 4.2 26.1 1.0 ND1 A:HIS29 4.3 24.2 1.0 CG A:HIS29 4.3 23.8 1.0 CB A:ASP124 4.3 24.4 1.0 O A:HOH428 4.3 23.9 1.0 CG2 A:VAL33 4.9 19.8 1.0 CA A:ASP124 5.0 22.9 1.0

Nickel binding site 2 out of 2 in the The Crystal Structure of Bacillus Subtilis Ypgq


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 Bacillus Subtilis Ypgq within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni301 b:44.4 occ:1.00 NE2 B:HIS58 2.1 43.2 1.0 OD1 B:ASP124 2.1 36.1 1.0 NE2 B:HIS29 2.3 32.2 1.0 O B:HOH419 2.5 46.2 1.0 OD2 B:ASP59 3.0 51.9 1.0 CE1 B:HIS58 3.1 40.2 1.0 CD2 B:HIS29 3.1 34.4 1.0 CG B:ASP124 3.1 36.8 1.0 CD2 B:HIS58 3.1 41.2 1.0 CE1 B:HIS29 3.3 35.7 1.0 OD2 B:ASP124 3.4 43.1 1.0 OD1 B:ASP59 3.6 57.0 1.0 CG B:ASP59 3.6 51.5 1.0 ND1 B:HIS58 4.2 38.6 1.0 O B:HOH411 4.2 31.5 1.0 CG B:HIS58 4.3 41.1 1.0 CG B:HIS29 4.3 36.1 1.0 ND1 B:HIS29 4.4 33.0 1.0 CB B:ASP124 4.5 36.3 1.0 CG2 B:VAL33 4.9 32.0 1.0

Y.J.Jeon, S.C.Park, W.S.Song, O.H.Kim, B.C.Oh, S.I.Yoon. Structural and Biochemical Characterization of Bacterial Ypgq Protein Reveals A Metal-Dependent Nucleotide Pyrophosphohydrolase J.Struct.Biol. V. 195 113 2016.
ISSN: ESSN 1095-8657
PubMed: 27062940
DOI: 10.1016/J.JSB.2016.04.002