2OA1

Crystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes, the L-Tryptophan with FAD complex

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.15 Å
  • R-Value Free: 0.194 
  • R-Value Work: 0.152 
  • R-Value Observed: 0.154 

Starting Model: experimental
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wwPDB Validation   3D Report Full Report


This is version 1.5 of the entry. See complete history. 


Literature

The structure of flavin-dependent tryptophan 7-halogenase RebH.

Bitto, E., Huang, Y., Bingman, C.A., Singh, S., Thorson, J.S., Phillips Jr., G.N.

(2008) Proteins 70: 289-293


Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Tryptophan halogenase
A, B
550Lentzea aerocolonigenesMutation(s): 0 
Gene Names: rbmJ, rebH
EC: 1.14.19.9
UniProt
Find proteins for Q8KHZ8 (Lentzea aerocolonigenes)
Explore Q8KHZ8 
Go to UniProtKB:  Q8KHZ8
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ8KHZ8
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 4 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
FAD
Query on FAD
Download Ideal Coordinates CCD File 
F [auth A]FLAVIN-ADENINE DINUCLEOTIDE
C27 H33 N9 O15 P2
VWWQXMAJTJZDQX-UYBVJOGSSA-N
ADN
Query on ADN
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G [auth B]ADENOSINE
C10 H13 N5 O4
OIRDTQYFTABQOQ-KQYNXXCUSA-N
TRP
Query on TRP
Download Ideal Coordinates CCD File 
D [auth A],
E [auth A]		TRYPTOPHAN
C11 H12 N2 O2
QIVBCDIJIAJPQS-VIFPVBQESA-N
CL
Query on CL
Download Ideal Coordinates CCD File 
C [auth A]CHLORIDE ION
Cl
VEXZGXHMUGYJMC-UHFFFAOYSA-M
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.15 Å
  • R-Value Free: 0.194 
  • R-Value Work: 0.152 
  • R-Value Observed: 0.154 
  • Space Group: P 62
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 114.492α = 90
b = 114.492β = 90
c = 231.935γ = 120
Software Package:
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
REFMACrefinement
PDB_EXTRACTdata extraction
HKL-2000data reduction

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2007-04-10
    Type: Initial release
  • Version 1.1: 2008-01-15
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Advisory, Derived calculations, Version format compliance
  • Version 1.3: 2017-10-18
    Changes: Refinement description
  • Version 1.4: 2023-12-27
    Changes: Data collection, Database references, Derived calculations, Refinement description
  • Version 1.5: 2024-04-03
    Changes: Refinement description