1QF9

PH INFLUENCES FLUORIDE COORDINATION NUMBER OF THE ALFX PHOSPHORYL TRANSFER TRANSITION STATE ANALOG IN UMP/CMP KINASE


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.70 Å
  • R-Value Free: 0.244 
  • R-Value Work: 0.216 

Starting Model: experimental
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This is version 1.4 of the entry. See complete history


Literature

pH influences fluoride coordination number of the AlFx phosphoryl transfer transition state analog.

Schlichting, I.Reinstein, J.

(1999) Nat Struct Biol 6: 721-723


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
PROTEIN (URIDYLMONOPHOSPHATE/CYTIDYLMONOPHOSPHATE KINASE)194Dictyostelium discoideumMutation(s): 0 
Gene Names: KCY_DICDI
EC: 2.7.4.14
UniProt
Find proteins for P20425 (Dictyostelium discoideum)
Explore P20425 
Go to UniProtKB:  P20425
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP20425
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.70 Å
  • R-Value Free: 0.244 
  • R-Value Work: 0.216 
  • Space Group: P 41 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 78α = 90
b = 78β = 90
c = 100.6γ = 90
Software Package:
Software NamePurpose
X-PLORmodel building
X-PLORrefinement
XDSdata reduction
XSCALEdata scaling
X-PLORphasing

Structure Validation

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Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 1999-08-16
    Type: Initial release
  • Version 1.1: 2008-04-26
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2019-11-20
    Changes: Database references
  • Version 1.4: 2023-08-16
    Changes: Data collection, Database references, Derived calculations, Refinement description