4LEH

Crystal structure of a bile-acid 7-alpha dehydratase (CLOSCI_03134) from Clostridium scindens ATCC 35704 at 2.90 A resolution


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.90 Å
  • R-Value Free: 0.217 
  • R-Value Work: 0.177 
  • R-Value Observed: 0.179 

wwPDB Validation   3D Report Full Report


This is version 1.2 of the entry. See complete history


Literature

Crystal structure of a bile-acid 7-alpha dehydratase (CLOSCI_03134) from Clostridium scindens ATCC 35704 at 2.90 A resolution

Joint Center for Structural Genomics (JCSG)

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Bile acid 7-alpha dehydratase, BaiE
A, B, C
185[Clostridium] scindens ATCC 35704Mutation(s): 0 
Gene Names: baiECLOSCI_03134
EC: 4.2.1.106
UniProt
Find proteins for B0NI18 (Clostridium scindens (strain ATCC 35704 / DSM 5676 / VPI 13733 / 19))
Explore B0NI18 
Go to UniProtKB:  B0NI18
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupB0NI18
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Modified Residues  1 Unique
IDChains TypeFormula2D DiagramParent
MSE
Query on MSE
A, B, C
L-PEPTIDE LINKINGC5 H11 N O2 SeMET
Experimental Data & Validation

Experimental Data

Unit Cell:
Length ( Å )Angle ( ˚ )
a = 109.322α = 90
b = 109.322β = 90
c = 118.263γ = 120
Software Package:
Software NamePurpose
MolProbitymodel building
PDB_EXTRACTdata extraction
SHELXphasing
SHARPphasing
SCALAdata scaling
REFMACrefinement
MOSFLMdata reduction
SHELXDphasing

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2013-08-21
    Type: Initial release
  • Version 1.1: 2017-11-15
    Changes: Refinement description
  • Version 1.2: 2023-02-01
    Changes: Database references, Derived calculations