4IOL

N10-formyltetrahydrofolate synthetase from Moorella thermoacetica with ADP/ZD9 and XPO

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.56 Å
  • R-Value Free: 0.279 
  • R-Value Work: 0.190 
  • R-Value Observed: 0.194 

Starting Model: experimental
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Ligand Structure Quality Assessment 


This is version 1.2 of the entry. See complete history. 


Literature

Time passes yet errors remain: Comments on the structure of N(10) -formyltetrahydrofolate synthetase.

Stec, B.

(2013) Protein Sci 22: 671-674


Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Formate--tetrahydrofolate ligase
A, B
559Moorella thermoacetica ATCC 39073Mutation(s): 0 
Gene Names: fhs, Moth_0109
EC: 6.3.4.3
UniProt
Find proteins for Q2RM91 (Moorella thermoacetica (strain ATCC 39073 / JCM 9320))
Explore Q2RM91 
Go to UniProtKB:  Q2RM91
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ2RM91
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 4 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
ADP
Query on ADP
Download Ideal Coordinates CCD File 
D [auth A],
I [auth B]		ADENOSINE-5'-DIPHOSPHATE
C10 H15 N5 O10 P2
XTWYTFMLZFPYCI-KQYNXXCUSA-N
ZD9
Query on ZD9
Download Ideal Coordinates CCD File 
E [auth A]2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one
C14 H15 N3 O
VHJQNTIPWBTKDM-UHFFFAOYSA-N
XPO
Query on XPO
Download Ideal Coordinates CCD File 
F [auth A]formyl phosphate
C H3 O5 P
TVISEJUYYBUVNV-UHFFFAOYSA-N
SO4
Query on SO4
Download Ideal Coordinates CCD File 
C [auth A],
G [auth A],
H [auth B],
J [auth B]		SULFATE ION
O4 S
QAOWNCQODCNURD-UHFFFAOYSA-L
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.56 Å
  • R-Value Free: 0.279 
  • R-Value Work: 0.190 
  • R-Value Observed: 0.194 
  • Space Group: H 3 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 160.37α = 90
b = 160.37β = 90
c = 258.074γ = 120
Software Package:
Software NamePurpose
MOLREPphasing
REFMACrefinement
HKL-2000data reduction
SCALEPACKdata scaling

Structure Validation

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Ligand Structure Quality Assessment 


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Entry History 

Deposition Data

  • Released Date: 2013-04-10 
    • Deposition Author(s): Stec, B.

Revision History  (Full details and data files)

  • Version 1.0: 2013-04-10
    Type: Initial release
  • Version 1.1: 2013-06-12
    Changes: Database references
  • Version 1.2: 2023-09-20
    Changes: Data collection, Database references, Derived calculations, Refinement description