Ligase

PDB id

1qf5

Contents

			Protein chain

					431 a.a. *

			Ligands

					PO4


					GDP


					RPL

			Metals

					_MG

			Waters ×122

* Residue conservation analysis

PDB id:

1qf5

Links

Name:

Ligase

Title:

Design, synthesis, and x-ray crystal structure of an enzyme bisubstrate hybrid inhibitor of adenylosuccinate synthetase

Structure:

Protein (adenylosuccinate synthetase). Chain: a. Ec: 6.3.4.4

Source:

Escherichia coli. Organism_taxid: 562. Strain: pur a strain h1238. Atcc: 5408, coli genetic stock center. Collection: 5408, coli genetic stock center. Other_details: a gift from dr. B. Bachurce 4 (genetic cente university)

Biol. unit:

Dimer (from PDB file)

Resolution:

2.00Å

R-factor:

0.196

R-free:

0.228

Authors:

S.Hanessian,P.-P.Lu,J.-Y.Sanceau,P.Chemla,L.Prade,K.Gohda,S. Jacob,R.Fonne-Pfister

Key ref:

S.Hanessian et al. (1999). An Enzyme-Bound Bisubstrate Hybrid Inhibitor of Adenylosuccinate Synthetase. Angew Chem Int Ed Engl, 38, 3159-3162. PubMed id: 10556888 DOI: 10.1002/(SICI)1521-3773(19991102)38:21<3159::AID-ANIE3159>3.0.CO;2-2

Date:

06-Apr-99

Release date:

02-Dec-99

PROCHECK

	Headers

	References

Protein chain

P0A7D4 (PURA_ECOLI) - Adenylosuccinate synthetase

Seq: Struc:					432 a.a. 431 a.a.

Key:

PfamA domain

Secondary structure

CATH domain



		Enzyme reactions

Enzyme class:

E.C.6.3.4.4 - Adenylosuccinate synthase.

[IntEnz] [ExPASy] [KEGG] [BRENDA]

Pathway:

AMP and GMP Biosynthesis

Reaction:

GTP + IMP + L-aspartate = GDP + phosphate + N₆-(1,2-dicarboxyethyl)- AMP

GTP

IMP

L-aspartate

GDP
Bound ligand (Het Group name = GDP)
corresponds exactly

phosphate
Bound ligand (Het Group name = PO4)
corresponds exactly

N(6)-(1,2-dicarboxyethyl)- AMP

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



		Gene Ontology (GO) functional annotation

Cellular component	membrane	2 terms
Biological process	nucleobase, nucleoside and nucleotide interconversion	3 terms
Biochemical function	nucleotide binding	7 terms

reference

DOI no: 10.1002/(SICI)1521-3773(19991102)38:21<3159::AID-ANIE3159>3.0.CO;2-2	Angew Chem Int Ed Engl 38:3159-3162 (1999)
PubMed id: 10556888

An Enzyme-Bound Bisubstrate Hybrid Inhibitor of Adenylosuccinate Synthetase.
S.Hanessian, P.P.Lu, J.Y.Sancéau, P.Chemla, K.Gohda, R.Fonne-Pfister, L.Prade, S.W.Cowan-Jacob.

ABSTRACT

Two relatively weak herbicides, hydantocidin phosphate and hadacidin were linked by a C(3) chain to afford a potent inhibitor (the 2S hybrid is shown) of the enzyme adenylosuccinate synthetase. The crystal structures of the bisubstrate-enzyme complexes were determined.

Literature references that cite this PDB file's key reference

PubMed id

Reference

19763291

N.Bragnier, R.Guillot, and M.C.Scherrmann (2009).
Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine.

Org Biomol Chem, 7, 3918-3921.

15701787

T.Borza, C.E.Popescu, and R.W.Lee (2005).
Multiple metabolic roles for the nonphotosynthetic plastid of the green alga Prototheca wickerhamii.

Eukaryot Cell, 4, 253-261.

15368579

R.Paulini, C.Lerner, R.Jakob-Roetne, G.Zürcher, E.Borroni, and F.Diederich (2004).
Bisubstrate inhibitors of the enzyme catechol O-methyltransferase (COMT): efficient inhibition despite the lack of a nitro group.

Chembiochem, 5, 1270-1274.

12186864

C.V.Iancu, T.Borza, H.J.Fromm, and R.B.Honzatko (2002).
Feedback inhibition and product complexes of recombinant mouse muscle adenylosuccinate synthetase.

J Biol Chem, 277, 40536-40543.

PDB codes:

1mez 1mf0 1mf1

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