6AQ3

Crystal structure of a trafficking protein particle complex subunit 3 from Naegleria fowleri covalently bound to palmitic acid


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.40 Å
  • R-Value Free: 0.209 
  • R-Value Work: 0.171 
  • R-Value Observed: 0.173 

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.1 of the entry. See complete history


Literature

Crystal structure of a trafficking protein particle complex subunit 3 from Naegleria fowleri covalently bound to palmitic acid

Edwards, T.E.Abendroth, J.Lorimer, D.D.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
trafficking protein particle complex subunit 3
A, B, C, D, E
A, B, C, D, E, F
195Naegleria fowleriMutation(s): 0 
Gene Names: NF0066220
UniProt
Find proteins for A0A2D0TCJ8 (Naegleria fowleri)
Explore A0A2D0TCJ8 
Go to UniProtKB:  A0A2D0TCJ8
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupA0A2D0TCJ8
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
PLM
Query on PLM

Download Ideal Coordinates CCD File 
G [auth A]
J [auth B]
N [auth C]
P [auth D]
R [auth E]
G [auth A],
J [auth B],
N [auth C],
P [auth D],
R [auth E],
V [auth F]
PALMITIC ACID
C16 H32 O2
IPCSVZSSVZVIGE-UHFFFAOYSA-N
EDO
Query on EDO

Download Ideal Coordinates CCD File 
H [auth A]
I [auth A]
K [auth B]
L [auth B]
M [auth B]
H [auth A],
I [auth A],
K [auth B],
L [auth B],
M [auth B],
O [auth C],
Q [auth D],
S [auth E],
T [auth E],
U [auth F],
W [auth F]
1,2-ETHANEDIOL
C2 H6 O2
LYCAIKOWRPUZTN-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.40 Å
  • R-Value Free: 0.209 
  • R-Value Work: 0.171 
  • R-Value Observed: 0.173 
  • Space Group: P 1
  • Diffraction Data: https://doi.org/10.18430/M36AQ3
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 53.64α = 114.55
b = 78.67β = 87.67
c = 80.57γ = 95.02
Software Package:
Software NamePurpose
XSCALEdata scaling
PHENIXrefinement
PDB_EXTRACTdata extraction
XDSdata reduction
MOLREPphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2017-08-30
    Type: Initial release
  • Version 1.1: 2023-10-04
    Changes: Data collection, Database references, Refinement description