3FSG

Crystal structure of alpha/beta superfamily hydrolase from Oenococcus oeni PSU-1


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.00 Å
  • R-Value Free: 0.225 
  • R-Value Work: 0.180 
  • R-Value Observed: 0.182 

wwPDB Validation   3D Report Full Report


This is version 1.1 of the entry. See complete history


Literature

Crystal structure of alpha/beta superfamily hydrolase from Oenococcus oeni PSU-1

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

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Alpha/beta superfamily hydrolase
A, B, C
272Oenococcus oeni PSU-1Mutation(s): 0 
Gene Names: OEOE_1827
UniProt
Find proteins for Q04D10 (Oenococcus oeni (strain ATCC BAA-331 / PSU-1))
Explore Q04D10 
Go to UniProtKB:  Q04D10
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ04D10
Sequence Annotations
Expand
  • Reference Sequence
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
Alpha/beta superfamily hydrolase272Oenococcus oeni PSU-1Mutation(s): 0 
Gene Names: OEOE_1827
UniProt
Find proteins for Q04D10 (Oenococcus oeni (strain ATCC BAA-331 / PSU-1))
Explore Q04D10 
Go to UniProtKB:  Q04D10
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ04D10
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 4 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
SO4
Query on SO4

Download Ideal Coordinates CCD File 
H [auth A]
I [auth A]
L [auth B]
N [auth C]
O [auth C]
H [auth A],
I [auth A],
L [auth B],
N [auth C],
O [auth C],
P [auth C],
V [auth D]
SULFATE ION
O4 S
QAOWNCQODCNURD-UHFFFAOYSA-L
GOL
Query on GOL

Download Ideal Coordinates CCD File 
G [auth A],
R [auth D]
GLYCEROL
C3 H8 O3
PEDCQBHIVMGVHV-UHFFFAOYSA-N
EDO
Query on EDO

Download Ideal Coordinates CCD File 
E [auth A]
F [auth A]
K [auth B]
M [auth C]
S [auth D]
E [auth A],
F [auth A],
K [auth B],
M [auth C],
S [auth D],
T [auth D],
U [auth D]
1,2-ETHANEDIOL
C2 H6 O2
LYCAIKOWRPUZTN-UHFFFAOYSA-N
CL
Query on CL

Download Ideal Coordinates CCD File 
J [auth A],
Q [auth C]
CHLORIDE ION
Cl
VEXZGXHMUGYJMC-UHFFFAOYSA-M
Modified Residues  2 Unique
IDChains TypeFormula2D DiagramParent
CSO
Query on CSO
A, B, C
L-PEPTIDE LINKINGC3 H7 N O3 SCYS
MSE
Query on MSE
A, B, C
L-PEPTIDE LINKINGC5 H11 N O2 SeMET
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.00 Å
  • R-Value Free: 0.225 
  • R-Value Work: 0.180 
  • R-Value Observed: 0.182 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 217.493α = 90
b = 40.58β = 107.5
c = 135.98γ = 90
Software Package:
Software NamePurpose
SBC-Collectdata collection
HKL-3000phasing
SHELXDphasing
Cootmodel building
MLPHAREphasing
CCP4model building
PHENIXmodel building
REFMACrefinement
HKL-3000data reduction
HKL-3000data scaling
CCP4phasing
PHENIXphasing

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2009-01-27
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Advisory, Source and taxonomy, Version format compliance