PDBsum entry 4a2s

Lyase

PDB id

4a2s

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Contents

			Protein chain

					247 a.a.

			Ligands

					3NK ×2

			Waters ×208

PDB id:

4a2s

Links

Name:

Lyase

Title:

Structure of the engineered retro-aldolase ra95.5

Structure:

Indole-3-glycerol phosphate synthase. Chain: a. Fragment: tim-barrel fold, residues 1-245. Synonym: igps, engineered retro-aldol enzyme ra95.5-5. Engineered: yes. Mutation: yes. Other_details: the sequence was designed based on indole-3-glycerol phosphate synthase naturally found in sulfolobus solfataricus.

Source:

Sulfolobus solfataricus. Organism_taxid: 2287. Expressed in: escherichia coli. Expression_system_taxid: 469008. Expression_system_variant: gold.

Resolution:

1.40Å

R-factor:

0.133

R-free:

0.162

Authors:

L.Giger,S.Caner,P.Kast,D.Baker,N.Ban,D.Hilvert

Key ref:

L.Giger et al. (2013). Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat Chem Biol, 9, 494-498. PubMed id: 23748672 DOI: 10.1038/nchembio.1276

Date:

28-Sep-11

Release date:

07-Nov-12

PROCHECK

	Headers

	References

Protein chain

Q06121 (TRPC_SULSO) - Indole-3-glycerol phosphate synthase from Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2)

Seq: Struc:					248 a.a. 247 a.a.*

Key:

PfamA domain

Secondary structure

CATH domain

* PDB and UniProt seqs differ at 18 residue positions (black crosses)



		Enzyme reactions

Enzyme class:

E.C.4.1.1.48 - indole-3-glycerol-phosphate synthase.

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

Pathway:

Tryptophan Biosynthesis

Reaction:

1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate + H⁺ = (1S,2R)- 1-C-(indol-3-yl)glycerol 3-phosphate + CO2 + H2O

1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate

H(+)

(1S,2R)- 1-C-(indol-3-yl)glycerol 3-phosphate
Bound ligand (Het Group name = 3NK)
matches with 50.00% similarity

CO2

H2O

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

reference

DOI no: 10.1038/nchembio.1276	Nat Chem Biol 9:494-498 (2013)
PubMed id: 23748672

Evolution of a designed retro-aldolase leads to complete active site remodeling.
L.Giger, S.Caner, R.Obexer, P.Kast, D.Baker, N.Ban, D.Hilvert.

ABSTRACT

No abstract given.