Structure of IDP90810

Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate from Campylobacter jejuni

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CSGID target
IDP90810 
PDB Id
6DEB (NCBI MMDB) 
Authors
'Y.Kim,M.Makowska-Grzyska,N.Maltseva,S.Grimshaw,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
May 11, 2018 
Release Date
May 23, 2018 

Annotation

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Ligands

Ligand code Name Ligand type
GUN guanine biological
TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL crystallization
K crystallization
GOL glycerol crystallization
CL chloride crystallization
MTX biological
DTT 2,3-dihydroxy-1,4-dithiobutane crystallization

Structure information

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Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=163.87Å, b=59.09Å, c=72.99Å
α=90.00, β=100.08, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
38.14-1.70Å (1.72-1.70Å)  
Rall(%)
16.2 
Rwork(%)
16.1 (16.6) 
Rfree(%)
18.8 (17.7) 
Num. observed reflections
75875 (1804) 
Num. Rfree reflections
3824 (93) 
Completeness(%)
95.2 (63.0) 

Model parameters

Num Atoms
4463  
Num Waters
497  
Num Hetatoms
613  
Model mean isotropic B factor
24.090Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.306°  
Filename uploaded
dep.pdb (uploaded on May 14, 2018 8:34 AM)  
Inserted
May 14, 2018