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PDBsum entry 6tfn

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protein ligands Protein-protein interface(s) links
Lyase PDB id
6tfn

 

 

 

 

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JSmol PyMol  
Contents
Protein chains
(+ 4 more) 362 a.a.
Ligands
N6Q ×6
Waters ×964
PDB id:
6tfn
Name: Lyase
Title: Linalool dehydratase isomerase in complex with myrcene
Structure: Linalool dehydratase-isomerase protein ldi. Chain: a, b, c, d, e, f, g, h, i, j. Engineered: yes
Source: Castellaniella defragrans 65phen. Organism_taxid: 1437824. Gene: bn940_14136. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008
Resolution:
2.18Å     R-factor:   0.190     R-free:   0.209
Authors: A.Cuetos,E.Zukic,H.R.Danesh-Azari,G.Grogan
Key ref: A.Cuetos et al. Mutational analysis of linalool dehydratase isomerase suggests that alcohol and alkene transformations are catalyzed using noncovalent mechanisms. Acs catalysis, .
Date:
14-Nov-19     Release date:   07-Oct-20    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
E1XUJ2  (LDI_CASD6) -  Linalool dehydratase/isomerase from Castellaniella defragrans (strain DSM 12143 / CCUG 39792 / 65Phen)
Seq:
Struc:
397 a.a.
362 a.a.
Key:    PfamA domain  Secondary structure

 Enzyme reactions 
   Enzyme class 1: E.C.4.2.1.127  - linalool dehydratase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: (S)-linalool = beta-myrcene + H2O
(S)-linalool
=
beta-myrcene
Bound ligand (Het Group name = N6Q)
corresponds exactly
+ H2O
   Enzyme class 2: E.C.5.4.4.4  - geraniol isomerase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: (2E)-geraniol = (S)-linalool
Geraniol
=
linalool
Bound ligand (Het Group name = N6Q)
matches with 90.91% 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

 

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