Iron in PDB 4y0i: Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator

All present enzymatic activity of Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator:
2.6.1.19; 2.6.1.22;

The structure of Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator, PDB code: 4y0i was solved by R.Wu, R.Sanishvili, H.V.Lee, D.H.Dustin, D.Emma, K.Neil, R.B.Silverman, D.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.04 / 1.66
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.483, 226.755, 71.425, 90.00, 108.79, 90.00
R / Rfree (%)	17.2 / 20.4

The binding sites of Iron atom in the Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator (pdb code 4y0i). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator, PDB code: 4y0i:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:0.1 occ:1.00 FE1 A:FES502 0.0 0.1 1.0 S2 A:FES502 2.2 17.7 1.0 S1 A:FES502 2.2 15.5 1.0 SG A:CYS135 2.4 14.9 1.0 SG A:CYS138 2.4 13.7 1.0 FE2 A:FES502 2.8 15.5 1.0 CB A:CYS138 3.2 15.1 1.0 CB A:CYS135 3.4 18.1 1.0 N A:CYS135 3.7 12.0 1.0 N A:CYS138 3.8 12.9 1.0 CA A:CYS135 4.0 12.7 1.0 CA A:CYS138 4.1 11.6 1.0 C A:ALA134 4.4 12.6 1.0 SG B:CYS135 4.4 15.5 1.0 C A:CYS135 4.5 15.1 1.0 O A:CYS135 4.6 15.2 1.0 O A:HOH879 4.6 17.3 1.0 CB A:ALA134 4.6 15.2 1.0 O A:HOH1014 4.7 35.0 1.0 SG B:CYS138 4.7 15.6 1.0 O B:HOH988 4.8 31.9 1.0 N A:ALA134 4.8 15.1 1.0 O A:HOH660 4.8 17.8 1.0 CA A:ALA134 4.8 14.5 1.0 C A:SER137 4.9 12.7 1.0

Iron binding site 2 out of 4 in the Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:15.5 occ:1.00 FE2 A:FES502 0.0 15.5 1.0 S2 A:FES502 2.2 17.7 1.0 S1 A:FES502 2.2 15.5 1.0 SG B:CYS135 2.3 15.5 1.0 SG B:CYS138 2.4 15.6 1.0 FE1 A:FES502 2.8 0.1 1.0 CB B:CYS138 3.3 15.3 1.0 CB B:CYS135 3.3 12.9 1.0 N B:CYS135 3.7 13.4 1.0 N B:CYS138 3.8 11.5 1.0 CA B:CYS135 4.0 14.2 1.0 CA B:CYS138 4.1 10.7 1.0 C B:ALA134 4.4 13.7 1.0 SG A:CYS135 4.5 14.9 1.0 C B:CYS135 4.5 14.1 1.0 O B:CYS135 4.6 14.8 1.0 O B:HOH804 4.6 16.4 1.0 CB B:ALA134 4.6 10.9 1.0 O B:HOH988 4.7 31.9 1.0 SG A:CYS138 4.7 13.7 1.0 O B:HOH644 4.8 20.4 1.0 O A:HOH1014 4.8 35.0 1.0 CA B:ALA134 4.9 13.0 1.0 N B:ALA134 4.9 15.5 1.0 C B:SER137 5.0 20.0 1.0

Iron binding site 3 out of 4 in the Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe502 b:11.1 occ:1.00 FE1 C:FES502 0.0 11.1 1.0 S1 C:FES502 2.2 11.5 1.0 S2 C:FES502 2.2 12.1 1.0 SG D:CYS135 2.3 11.2 1.0 SG D:CYS138 2.4 11.7 1.0 FE2 C:FES502 2.7 10.9 1.0 CB D:CYS138 3.2 11.7 1.0 CB D:CYS135 3.4 10.8 1.0 N D:CYS135 3.8 9.5 1.0 N D:CYS138 3.8 8.9 1.0 CA D:CYS135 4.0 10.7 1.0 CA D:CYS138 4.1 9.8 1.0 SG C:CYS135 4.4 10.3 1.0 C D:ALA134 4.4 11.2 1.0 O D:HOH796 4.5 14.5 1.0 C D:CYS135 4.5 12.7 1.0 O D:HOH1051 4.6 26.5 1.0 O D:HOH895 4.6 18.6 1.0 O D:CYS135 4.6 8.7 1.0 O C:HOH1020 4.6 27.3 1.0 CB D:ALA134 4.6 13.6 1.0 SG C:CYS138 4.7 11.7 1.0 CA D:ALA134 4.8 8.0 1.0 N D:ALA134 4.8 8.1 1.0 C D:SER137 5.0 7.5 1.0

Iron binding site 4 out of 4 in the Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe502 b:10.9 occ:1.00 FE2 C:FES502 0.0 10.9 1.0 S2 C:FES502 2.2 12.1 1.0 S1 C:FES502 2.2 11.5 1.0 SG C:CYS135 2.3 10.3 1.0 SG C:CYS138 2.4 11.7 1.0 FE1 C:FES502 2.7 11.1 1.0 CB C:CYS138 3.3 10.3 1.0 CB C:CYS135 3.4 11.1 1.0 N C:CYS135 3.7 8.0 1.0 N C:CYS138 3.8 7.2 1.0 CA C:CYS135 4.0 6.9 1.0 CA C:CYS138 4.1 10.3 1.0 C C:ALA134 4.4 9.9 1.0 SG D:CYS135 4.4 11.2 1.0 O C:HOH804 4.5 12.5 1.0 C C:CYS135 4.5 8.4 1.0 CB C:ALA134 4.6 8.3 1.0 O C:HOH1020 4.6 27.3 1.0 O C:CYS135 4.6 8.8 1.0 O D:HOH1051 4.6 26.5 1.0 SG D:CYS138 4.7 11.7 1.0 N C:ALA134 4.8 8.8 1.0 CA C:ALA134 4.8 8.9 1.0 O C:HOH666 4.8 18.1 1.0 C C:SER137 4.9 9.3 1.0

H.V.Lee, D.H.Dustin, R.Wu, D.Emma, R.Sanishvili, D.Liu, K.Neil, R.B.Silverman. Gaba-Aminotransferase Inactivated By Conformationally-Restricted Inactivator To Be Published.