Nickel in PDB 4tsr: The Complex Structure of Mutant Phytase with Ihs

All present enzymatic activity of The Complex Structure of Mutant Phytase with Ihs:
3.1.3.2; 3.1.3.26;

The structure of The Complex Structure of Mutant Phytase with Ihs, PDB code: 4tsr was solved by T.H.Wu, C.C.Chen, C.H.Huang, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.07
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.796, 47.500, 65.632, 90.00, 100.51, 90.00
R / Rfree (%)	17.2 / 21.8

The binding sites of Nickel atom in the The Complex Structure of Mutant Phytase with Ihs (pdb code 4tsr). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the The Complex Structure of Mutant Phytase with Ihs, PDB code: 4tsr:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in the The Complex Structure of Mutant Phytase with Ihs


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of The Complex Structure of Mutant Phytase with Ihs within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni501 b:40.9 occ:1.00 OD2 A:ASP88 2.3 11.6 1.0 NE2 A:HIS303 2.4 20.4 1.0 OD2 A:ASP90 2.4 26.7 1.0 O A:HOH755 2.5 26.4 1.0 CG A:ASP88 3.1 11.4 1.0 CE1 A:HIS303 3.2 20.1 1.0 CG A:ASP90 3.2 22.2 1.0 CD2 A:HIS303 3.3 19.1 1.0 OD1 A:ASP90 3.4 25.2 1.0 O3 A:IHS505 3.5 37.5 0.8 O A:HOH734 3.5 24.3 1.0 OD1 A:ASP88 3.7 11.4 1.0 CB A:ASP88 4.2 11.6 1.0 ND1 A:HIS303 4.2 18.5 1.0 CG A:HIS303 4.3 17.4 1.0 CB A:ASP90 4.6 20.4 1.0 S1 A:IHS505 4.9 35.4 0.8 N A:ASP90 5.0 16.7 1.0

Nickel binding site 2 out of 4 in the The Complex Structure of Mutant Phytase with Ihs


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of The Complex Structure of Mutant Phytase with Ihs within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni502 b:48.6 occ:1.00 NE2 A:HIS113 2.2 19.3 1.0 O A:HOH605 2.4 28.0 1.0 CE1 A:HIS113 3.1 19.0 1.0 CD2 A:HIS113 3.2 18.8 1.0 O A:HOH620 3.7 39.5 1.0 O A:HOH769 3.9 33.6 1.0 O A:GLY290 4.2 24.9 1.0 ND1 A:HIS113 4.2 19.1 1.0 CG A:HIS113 4.3 17.8 1.0 O A:TYR289 4.4 20.0 1.0 CG2 A:THR111 4.6 20.4 1.0 C A:GLY290 4.8 22.4 1.0

Nickel binding site 3 out of 4 in the The Complex Structure of Mutant Phytase with Ihs


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of The Complex Structure of Mutant Phytase with Ihs within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni503 b:21.3 occ:1.00 NE2 A:HIS158 2.1 21.1 1.0 O A:HOH631 2.1 14.7 1.0 OD1 A:ASP154 2.2 13.7 1.0 O A:HOH656 2.4 17.8 1.0 CG A:ASP154 3.0 13.7 1.0 CD2 A:HIS158 3.0 20.3 1.0 OD2 A:ASP154 3.0 14.5 1.0 CE1 A:HIS158 3.2 22.2 1.0 O A:GLY149 4.2 14.2 1.0 O A:HOH623 4.2 22.7 1.0 CG A:HIS158 4.2 21.6 1.0 CA A:GLY149 4.2 13.5 1.0 ND1 A:HIS158 4.3 21.6 1.0 CB A:ASP154 4.4 13.3 1.0 C A:GLY149 4.7 13.8 1.0 O A:ASP154 4.9 13.1 1.0

Nickel binding site 4 out of 4 in the The Complex Structure of Mutant Phytase with Ihs


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of The Complex Structure of Mutant Phytase with Ihs within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni504 b:42.9 occ:1.00 OD1 A:ASP325 2.2 14.3 1.0 OD2 A:ASP325 2.5 12.0 1.0 OG1 A:THR327 2.5 14.7 1.0 O A:THR327 2.6 11.9 1.0 NE2 A:HIS250 2.6 14.0 1.0 CG A:ASP325 2.7 12.3 1.0 CD2 A:HIS250 3.2 14.0 1.0 C A:THR327 3.3 12.6 1.0 NH1 A:ARG16 3.5 15.9 1.0 CB A:THR327 3.5 13.8 1.0 OD1 A:ASP304 3.6 19.6 1.0 OE2 A:GLU219 3.7 14.5 1.0 CE1 A:HIS250 3.7 14.3 1.0 CA A:THR327 3.8 12.4 1.0 CB A:ASP304 3.9 15.8 1.0 O A:HOH715 3.9 14.3 1.0 N A:THR327 3.9 12.5 1.0 CB A:ASP325 4.2 12.2 1.0 CZ A:ARG16 4.2 15.5 1.0 CD A:GLU219 4.2 14.4 1.0 CG A:ASP304 4.2 18.1 1.0 OE1 A:GLU219 4.3 16.0 1.0 N A:PRO328 4.3 11.7 1.0 CG A:HIS250 4.5 13.8 1.0 CA A:PRO328 4.7 11.9 1.0 ND1 A:HIS250 4.7 14.1 1.0 O35 A:IHS505 4.7 43.7 0.8 NH2 A:ARG16 4.7 15.8 1.0 NE A:ARG16 4.8 14.3 1.0 CG2 A:THR327 4.8 14.4 1.0 CA A:ASP325 5.0 11.9 1.0 CD A:ARG16 5.0 13.3 1.0 CZ A:PHE254 5.0 17.1 1.0

T.H.Wu, C.C.Chen, C.H.Huang, R.T.Guo. The Complex Structure of Mutant Phytase with Ihs To Be Published.