5SNV

PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z295848548

  • Classification: TRANSFERASE
  • Organism(s): Pseudomonas aeruginosa
  • Expression System: Escherichia coli
  • Mutation(s): Yes 

  • Deposited: 2022-05-30 Released: 2023-12-20 
  • Deposition Author(s): Brenk, R., Georgiou, C.
  • Funding Organization(s): Research Council of Norway, Research Council of Norway (RCN) through the NORCRYST, Research Council of Norway (RCN) through the NOR-OPENSCREEN

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.90 Å
  • R-Value Free: 0.229 
  • R-Value Work: 0.182 
  • R-Value Observed: 0.184 

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.1 of the entry. See complete history. 


Literature

Macromolecules
Find similar proteins by: 
(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
3-oxoacyl-[acyl-carrier-protein] synthase 2
A, B
414Pseudomonas aeruginosaMutation(s): 1 
Gene Names: fabF
EC: 2.3.1.179
UniProt
Find proteins for G3XDA2 (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1))
Explore G3XDA2 
Go to UniProtKB:  G3XDA2
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupG3XDA2
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
X0G (Subject of Investigation/LOI)
Query on X0G
Download Ideal Coordinates CCD File 
C [auth A],
G [auth B]		4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
C10 H15 N3 O2
PAJXOLYFZZURHI-UHFFFAOYSA-N
PO4
Query on PO4
Download Ideal Coordinates CCD File 
O [auth B]PHOSPHATE ION
O4 P
NBIIXXVUZAFLBC-UHFFFAOYSA-K
DMS
Query on DMS
Download Ideal Coordinates CCD File 
D [auth A]
E [auth A]
F [auth A]
H [auth B]
I [auth B]
D [auth A],
E [auth A],
F [auth A],
H [auth B],
I [auth B],
J [auth B],
K [auth B],
L [auth B],
M [auth B],
N [auth B]
DIMETHYL SULFOXIDE
C2 H6 O S
IAZDPXIOMUYVGZ-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.90 Å
  • R-Value Free: 0.229 
  • R-Value Work: 0.182 
  • R-Value Observed: 0.184 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 137.954α = 90
b = 65.466β = 93.64
c = 84.456γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
Aimlessdata scaling
PDB_EXTRACTdata extraction
XDSdata reduction
REFMACphasing

Structure Validation

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Ligand Structure Quality Assessment 


View more in-depth experimental data
Entry History & Funding Information

Deposition Data

Funding OrganizationLocationGrant Number
Research Council of NorwayNorway273588
Research Council of Norway (RCN) through the NORCRYSTNorway245828
Research Council of Norway (RCN) through the NOR-OPENSCREENNorway245922

Revision History  (Full details and data files)

  • Version 1.0: 2023-12-20
    Type: Initial release
  • Version 1.1: 2024-01-10
    Changes: Database references