PDBsum entry 4zsw

Transferase/transferase inhibitor

PDB id: 4zsw

Contents

Protein chains

461 a.a.

Ligands

FES ×2

RW2 ×4

GOL ×2

ACT

Waters ×1787

PDB id:

4zsw

Name:

Transferase/transferase inhibitor

Title:

Pig brain gaba-at inactivated by (e)-(1s,3s)-3-amino-4- fluoromethylenyl-1-cyclopentanoic acid

Structure:

4-aminobutyrate aminotransferase, mitochondrial. Chain: a, b, c, d. Fragment: unp residues 39-499. Synonym: (s)-3-amino-2-methylpropionate transaminase,gaba aminotransferase,gaba-at,gamma-amino-n-butyrate transaminase,gaba-t, l-aibat. Engineered: yes

Source:

Sus scrofa. Pig. Organism_taxid: 9823. Gene: abat, gabat. Expressed in: sus scrofa domesticus. Expression_system_taxid: 9825

Resolution:

1.70Å R-factor: 0.159 R-free: 0.195

Authors:

R.Wu,H.Lee,H.V.Le,E.Doud,R.Sanishvili,P.Compton,N.L.Kelleher, R.B.Silverman,D.Liu

Key ref:

H.Lee et al. (2015). Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid. Acs Chem Biol, 10, 2087-2098. PubMed id: 26110556 DOI: 10.1021/acschembio.5b00212

Date:

14-May-15 Release date: 08-Jul-15

Protein chains

P80147  (GABT_PIG) -  4-aminobutyrate aminotransferase, mitochondrial from Sus scrofa

Seq: 500 a.a.

Struc: 461 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class 1: E.C.2.6.1.19 - 4-aminobutyrate--2-oxoglutarate transaminase.
• Reaction: 4-aminobutanoate + 2-oxoglutarate = succinate semialdehyde + L-glutamate

4-aminobutanoate (Bound ligand (Het Group name = GOL) matches with 45.45% similarity) + 2-oxoglutarate = succinate semialdehyde (Bound ligand (Het Group name = ACT) matches with 40.00% similarity) + L-glutamate

• Cofactor: Pyridoxal 5'-phosphate

Pyridoxal 5'-phosphate (Bound ligand (Het Group name = RW2) matches with 55.56% similarity)

• Enzyme class 2: E.C.2.6.1.22 - (S)-3-amino-2-methylpropionate transaminase.

Pathway:

• Reaction: (S)-3-amino-2-methylpropanoate + 2-oxoglutarate = 2-methyl-3- oxopropanoate + L-glutamate

(S)-3-amino-2-methylpropanoate + 2-oxoglutarate = 2-methyl-3- oxopropanoate (Bound ligand (Het Group name = GOL) matches with 62.50% similarity) + L-glutamate (Bound ligand (Het Group name = ACT) matches with 40.00% similarity)

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1021/acschembio.5b00212

Acs Chem Biol 10:2087-2098 (2015)

PubMed id: 26110556

Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.

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.

ABSTRACT

No abstract given.