5ULB

Crystal structure of sugar ABC transporter from Yersinia enterocolitica subsp. enterocolitica 8081


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.28 Å
  • R-Value Free: 0.153 
  • R-Value Work: 0.110 
  • R-Value Observed: 0.112 

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Ligand Structure Quality Assessment 


This is version 2.0 of the entry. See complete history


Literature

Crystal structure of sugar ABC transporter from Yersinia enterocolitica subsp. enterocolitica 8081

Nocek, B.Bigelow, L.Joachimiak, A.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Putative sugar ABC transporter337Yersinia enterocolitica subsp. enterocolitica 8081Mutation(s): 0 
UniProt
Find proteins for A1JTX8 (Yersinia enterocolitica serotype O:8 / biotype 1B (strain NCTC 13174 / 8081))
Explore A1JTX8 
Go to UniProtKB:  A1JTX8
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupA1JTX8
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
8GG
Query on 8GG

Download Ideal Coordinates CCD File 
C [auth A]5-Se-methyl-5-seleno-beta-D-ribofuranose
C6 H12 O4 Se
UFNQFLPLDXICBS-KVTDHHQDSA-N
8GA
Query on 8GA

Download Ideal Coordinates CCD File 
B [auth A]5-Se-methyl-5-seleno-alpha-D-ribofuranose
C6 H12 O4 Se
UFNQFLPLDXICBS-KAZBKCHUSA-N
Modified Residues  1 Unique
IDChains TypeFormula2D DiagramParent
MSE
Query on MSE
A
L-PEPTIDE LINKINGC5 H11 N O2 SeMET
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.28 Å
  • R-Value Free: 0.153 
  • R-Value Work: 0.110 
  • R-Value Observed: 0.112 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 45.993α = 90
b = 55.856β = 90
c = 119.573γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
HKL-3000data reduction
HKL-3000data scaling
HKL-3000phasing

Structure Validation

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Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2018-09-12
    Type: Initial release
  • Version 2.0: 2020-07-29
    Type: Remediation
    Reason: Carbohydrate remediation
    Changes: Atomic model, Data collection, Derived calculations