Iron in PDB 4zsy: Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid.

All present enzymatic activity of Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid.:
2.6.1.19; 2.6.1.22;

The structure of Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid., PDB code: 4zsy was solved by R.Wu, H.Lee, H.V.Le, E.Doud, R.Sanishvili, P.Compton, N.L.Kelleher, R.B.Silverman, D.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.70 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.595, 227.194, 71.304, 90.00, 108.82, 90.00
R / Rfree (%)	16.4 / 19

The binding sites of Iron atom in the Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid. (pdb code 4zsy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid., PDB code: 4zsy:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:18.5 occ:1.00 FE5 A:FSF501 0.0 18.5 1.0 S6 A:FSF501 2.2 23.9 1.0 S5 A:FSF501 2.2 21.0 1.0 SG A:CYS135 2.3 20.7 1.0 SG A:CYS138 2.3 18.1 1.0 FE6 A:FSF501 2.8 18.8 1.0 CB A:CYS138 3.2 19.8 1.0 CB A:CYS135 3.4 20.5 1.0 N A:CYS135 3.7 15.4 1.0 N A:CYS138 3.7 17.6 1.0 CA A:CYS135 4.0 16.8 1.0 CA A:CYS138 4.1 15.6 1.0 C A:ALA134 4.4 14.9 1.0 C A:CYS135 4.5 18.2 1.0 SG B:CYS135 4.5 20.7 1.0 O A:CYS135 4.5 18.8 1.0 O A:HOH848 4.5 25.1 1.0 CB A:ALA134 4.6 20.2 1.0 SG B:CYS138 4.7 19.5 1.0 CA A:ALA134 4.8 19.4 1.0 N A:ALA134 4.9 16.8 1.0 C A:SER137 4.9 17.7 1.0 O A:HOH634 5.0 30.4 1.0

Iron binding site 2 out of 4 in the Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:18.8 occ:1.00 FE6 A:FSF501 0.0 18.8 1.0 S5 A:FSF501 2.2 21.0 1.0 S6 A:FSF501 2.2 23.9 1.0 SG B:CYS135 2.3 20.7 1.0 SG B:CYS138 2.3 19.5 1.0 FE5 A:FSF501 2.8 18.5 1.0 CB B:CYS138 3.3 19.6 1.0 CB B:CYS135 3.4 17.0 1.0 N B:CYS135 3.7 16.2 1.0 N B:CYS138 3.8 16.6 1.0 CA B:CYS135 4.0 16.1 1.0 CA B:CYS138 4.1 15.0 1.0 C B:ALA134 4.4 22.8 1.0 SG A:CYS135 4.5 20.7 1.0 C B:CYS135 4.5 18.6 1.0 CB B:ALA134 4.6 16.7 1.0 O B:CYS135 4.6 19.0 1.0 O B:HOH743 4.6 24.5 1.0 SG A:CYS138 4.6 18.1 1.0 CA B:ALA134 4.8 19.1 1.0 N B:ALA134 4.9 16.9 1.0 C B:SER137 4.9 22.6 1.0 O B:HOH612 5.0 30.0 1.0

Iron binding site 3 out of 4 in the Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:16.1 occ:1.00 FE5 D:FSF501 0.0 16.1 1.0 S5 D:FSF501 2.2 17.6 1.0 S6 D:FSF501 2.2 17.2 1.0 SG C:CYS135 2.3 17.1 1.0 SG C:CYS138 2.3 15.1 1.0 FE6 D:FSF501 2.8 15.0 1.0 CB C:CYS138 3.2 15.0 1.0 CB C:CYS135 3.4 15.6 1.0 N C:CYS135 3.7 14.4 1.0 N C:CYS138 3.8 16.1 1.0 CA C:CYS135 4.0 12.1 1.0 CA C:CYS138 4.1 14.5 1.0 C C:ALA134 4.4 12.8 1.0 O C:HOH826 4.5 21.7 1.0 SG D:CYS135 4.5 17.1 1.0 C C:CYS135 4.5 14.0 1.0 O C:CYS135 4.6 14.2 1.0 CB C:ALA134 4.6 16.8 1.0 SG D:CYS138 4.7 14.3 1.0 O D:HOH991 4.7 34.4 1.0 N C:ALA134 4.8 13.9 1.0 CA C:ALA134 4.8 12.5 1.0 C C:SER137 4.9 15.3 1.0 O C:HOH628 5.0 28.4 1.0

Iron binding site 4 out of 4 in the Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Pig Brain Gaba-at Inactivated By (Z)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:15.0 occ:1.00 FE6 D:FSF501 0.0 15.0 1.0 S5 D:FSF501 2.2 17.6 1.0 S6 D:FSF501 2.2 17.2 1.0 SG D:CYS138 2.3 14.3 1.0 SG D:CYS135 2.3 17.1 1.0 FE5 D:FSF501 2.8 16.1 1.0 CB D:CYS138 3.2 15.6 1.0 CB D:CYS135 3.4 16.5 1.0 N D:CYS135 3.7 10.8 1.0 N D:CYS138 3.8 15.1 1.0 CA D:CYS135 4.0 15.4 1.0 CA D:CYS138 4.1 13.9 1.0 C D:ALA134 4.4 15.4 1.0 SG C:CYS135 4.4 17.1 1.0 C D:CYS135 4.5 18.8 1.0 O D:HOH991 4.6 34.4 1.0 O D:HOH865 4.6 20.5 1.0 O D:CYS135 4.6 13.5 1.0 CB D:ALA134 4.6 18.1 1.0 SG C:CYS138 4.6 15.1 1.0 CA D:ALA134 4.9 15.0 1.0 O D:HOH747 4.9 28.4 1.0 N D:ALA134 4.9 12.7 1.0 C D:SER137 4.9 11.9 1.0

H.Lee, H.V.Le, R.Wu, E.Doud, R.Sanishvili, J.F.Kellie, P.D.Compton, B.Pachaiyappan, D.Liu, N.L.Kelleher, R.B.Silverman. Mechanism of Inactivation of Gaba Aminotransferase By (E)- and (Z)-(1S,3S)-3-Amino-4-Fluoromethylenyl-1-Cyclopentanoic Acid. Acs Chem.Biol. V. 10 2087 2015.
ISSN: ESSN 1554-8937
PubMed: 26110556
DOI: 10.1021/ACSCHEMBIO.5B00212