1Z7A

Crystal structure of probable Polysaccharide deacetylase from Pseudomonas aeruginosa PAO1


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.71 Å
  • R-Value Free: 0.175 
  • R-Value Work: 0.151 
  • R-Value Observed: 0.152 

wwPDB Validation   3D Report Full Report


This is version 1.3 of the entry. See complete history


Literature

Crystal structure of probable Polysaccharide deacetylase from Pseudomonas aeruginosa PAO1

Chang, C.Skarina, T.Savchenko, A.Edwards, A.M.Joachimiak, A.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
conserved hypothetical protein
A, B, C, D, E
A, B, C, D, E, F, G, H
308Pseudomonas aeruginosa PAO1Mutation(s): 12 
UniProt
Find proteins for Q9I3J6 (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1))
Explore Q9I3J6 
Go to UniProtKB:  Q9I3J6
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ9I3J6
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
GOL
Query on GOL

Download Ideal Coordinates CCD File 
BA [auth E]
FA [auth F]
K [auth A]
KA [auth G]
O [auth B]
BA [auth E],
FA [auth F],
K [auth A],
KA [auth G],
O [auth B],
OA [auth H],
W [auth D]
GLYCEROL
C3 H8 O3
PEDCQBHIVMGVHV-UHFFFAOYSA-N
EDO
Query on EDO

Download Ideal Coordinates CCD File 
AA [auth E]
DA [auth F]
EA [auth F]
HA [auth G]
I [auth A]
AA [auth E],
DA [auth F],
EA [auth F],
HA [auth G],
I [auth A],
IA [auth G],
J [auth A],
JA [auth G],
LA [auth H],
M [auth B],
MA [auth H],
N [auth B],
NA [auth H],
R [auth C],
S [auth C],
U [auth D],
V [auth D],
Y [auth E],
Z [auth E]
1,2-ETHANEDIOL
C2 H6 O2
LYCAIKOWRPUZTN-UHFFFAOYSA-N
IPA
Query on IPA

Download Ideal Coordinates CCD File 
CA [auth E]
GA [auth F]
L [auth A]
P [auth B]
PA [auth H]
CA [auth E],
GA [auth F],
L [auth A],
P [auth B],
PA [auth H],
Q [auth B],
T [auth C],
X [auth D]
ISOPROPYL ALCOHOL
C3 H8 O
KFZMGEQAYNKOFK-UHFFFAOYSA-N
Modified Residues  1 Unique
IDChains TypeFormula2D DiagramParent
MSE
Query on MSE
A, B, C, D, E
A, B, C, D, E, F, G, H
L-PEPTIDE LINKINGC5 H11 N O2 SeMET
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.71 Å
  • R-Value Free: 0.175 
  • R-Value Work: 0.151 
  • R-Value Observed: 0.152 
  • Space Group: P 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 101.653α = 60.71
b = 101.773β = 61.24
c = 100.99γ = 89.9
Software Package:
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
SCALEPACKdata scaling
HKL-2000data scaling

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2005-05-10
    Type: Initial release
  • Version 1.1: 2008-04-30
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Source and taxonomy, Version format compliance
  • Version 1.3: 2017-10-11
    Changes: Advisory, Refinement description