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

All present enzymatic activity of Pig Brain Gaba-at Inactivated By (E)-(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 (E)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid, PDB code: 4zsw 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)	49.72 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.601, 227.614, 71.343, 90.00, 108.97, 90.00
R / Rfree (%)	15.8 / 19.5

The binding sites of Iron atom in the Pig Brain Gaba-at Inactivated By (E)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid (pdb code 4zsw). 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 (E)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid, PDB code: 4zsw:
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 (E)-(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 (E)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.8 occ:1.00 FE5 A:FSF501 0.0 17.8 1.0 S6 A:FSF501 2.2 18.3 1.0 S5 A:FSF501 2.2 17.8 1.0 SG A:CYS135 2.3 19.9 1.0 SG A:CYS138 2.4 17.8 1.0 FE6 A:FSF501 2.7 16.8 1.0 CB A:CYS138 3.3 16.7 1.0 CB A:CYS135 3.4 17.0 1.0 N A:CYS135 3.8 12.5 1.0 N A:CYS138 3.8 13.6 1.0 CA A:CYS135 4.1 16.3 1.0 CA A:CYS138 4.1 15.1 1.0 C A:ALA134 4.4 12.2 1.0 SG B:CYS135 4.4 19.0 1.0 C A:CYS135 4.5 17.6 1.0 SG B:CYS138 4.6 17.2 1.0 O A:CYS135 4.6 17.3 1.0 O A:HOH849 4.7 25.8 1.0 CB A:ALA134 4.7 16.6 1.0 CA A:ALA134 4.9 16.3 1.0 N A:ALA134 4.9 17.1 1.0 C A:SER137 4.9 18.4 1.0 O A:HOH695 5.0 28.1 1.0

Iron binding site 2 out of 4 in the Pig Brain Gaba-at Inactivated By (E)-(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 (E)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:16.8 occ:1.00 FE6 A:FSF501 0.0 16.8 1.0 S5 A:FSF501 2.2 17.8 1.0 S6 A:FSF501 2.2 18.3 1.0 SG B:CYS135 2.3 19.0 1.0 SG B:CYS138 2.4 17.2 1.0 FE5 A:FSF501 2.7 17.8 1.0 CB B:CYS138 3.3 16.4 1.0 CB B:CYS135 3.4 15.2 1.0 N B:CYS135 3.7 14.5 1.0 N B:CYS138 3.8 14.0 1.0 CA B:CYS135 4.0 16.3 1.0 CA B:CYS138 4.1 14.1 1.0 C B:ALA134 4.4 18.0 1.0 SG A:CYS135 4.4 19.9 1.0 C B:CYS135 4.5 17.3 1.0 SG A:CYS138 4.6 17.8 1.0 O B:CYS135 4.6 17.2 1.0 CB B:ALA134 4.7 15.5 1.0 O B:HOH793 4.8 23.5 1.0 CA B:ALA134 4.8 17.4 1.0 N B:ALA134 4.9 17.1 1.0 O B:HOH625 4.9 29.1 1.0 C B:SER137 4.9 18.6 1.0

Iron binding site 3 out of 4 in the Pig Brain Gaba-at Inactivated By (E)-(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 (E)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:14.0 occ:1.00 FE5 C:FSF501 0.0 14.0 1.0 S5 C:FSF501 2.2 13.5 1.0 S6 C:FSF501 2.3 14.4 1.0 SG C:CYS138 2.3 14.8 1.0 SG C:CYS135 2.3 14.1 1.0 FE6 C:FSF501 2.8 14.3 1.0 CB C:CYS138 3.3 14.1 1.0 CB C:CYS135 3.4 10.6 1.0 N C:CYS135 3.7 10.8 1.0 N C:CYS138 3.8 12.6 1.0 CA C:CYS135 4.0 9.7 1.0 CA C:CYS138 4.1 11.3 1.0 C C:ALA134 4.4 12.2 1.0 SG D:CYS135 4.4 13.4 1.0 O D:HOH1014 4.5 30.7 1.0 C C:CYS135 4.5 15.2 1.0 O C:HOH888 4.6 18.8 1.0 O D:HOH1016 4.6 40.5 1.0 SG D:CYS138 4.6 12.3 1.0 O C:CYS135 4.7 13.3 1.0 CB C:ALA134 4.7 13.2 1.0 N C:ALA134 4.8 13.5 1.0 CA C:ALA134 4.8 11.1 1.0 O C:HOH621 4.9 26.8 1.0 C C:SER137 4.9 12.1 1.0

Iron binding site 4 out of 4 in the Pig Brain Gaba-at Inactivated By (E)-(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 (E)-(1S,3S)-3-Amino-4- Fluoromethylenyl-1-Cyclopentanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:14.3 occ:1.00 FE6 C:FSF501 0.0 14.3 1.0 S6 C:FSF501 2.2 14.4 1.0 S5 C:FSF501 2.2 13.5 1.0 SG D:CYS138 2.3 12.3 1.0 SG D:CYS135 2.3 13.4 1.0 FE5 C:FSF501 2.8 14.0 1.0 CB D:CYS138 3.3 13.2 1.0 CB D:CYS135 3.4 14.1 1.0 N D:CYS135 3.7 11.9 1.0 N D:CYS138 3.8 11.0 1.0 CA D:CYS135 4.0 12.7 1.0 CA D:CYS138 4.1 10.5 1.0 C D:ALA134 4.4 12.4 1.0 SG C:CYS135 4.4 14.1 1.0 O D:HOH745 4.5 18.8 1.0 O D:HOH1014 4.5 30.7 1.0 C D:CYS135 4.5 16.2 1.0 O D:HOH1016 4.6 40.5 1.0 O D:CYS135 4.6 12.6 1.0 SG C:CYS138 4.6 14.8 1.0 CB D:ALA134 4.8 14.1 1.0 N D:ALA134 4.9 11.9 1.0 CA D:ALA134 4.9 11.7 1.0 O D:HOH637 4.9 27.0 1.0 C D:SER137 4.9 12.7 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