Structure of IDP92622

Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Cryptosporidium parvum and the inhibitor p131

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CSGID target
IDP92622 
PDB Id
4RV8 (NCBI MMDB) 
Authors
Y.Kim,M.Makowska-Grzyska,M.Gu,M.Kavitha,L.Hedstrom,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Nov 25, 2014 
Release Date
Dec 31, 2014 

Annotation

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Ligands

Ligand code Name Ligand type
IMP Inosine monophosphate biological
131 biological
GOL glycerol crystallization
PEG crystallization
CSA modified residue

Structure information

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Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=89.19Å, b=91.83Å, c=92.02Å
α=90.00, β=103.75, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
40.84-2.05Å (2.08-2.21Å)  
Rall(%)
18.9 
Rwork(%)
18.7 (27.8) 
Rfree(%)
22.9 (33.1) 
Num. observed reflections
94294 (2800) 
Num. Rfree reflections
4724 (139) 
Completeness(%)
99.6 (93.0) 

Model parameters

Num Atoms
9837  
Num Waters
339  
Num Hetatoms
577  
Model mean isotropic B factor
36.080Å2  
RMSD bond length
0.004Å  
RMSD bond angle
0.864°  
RMSD dihedral angle
12.07°
 
Filename uploaded
dep-n.pdb (uploaded on Nov 25, 2014 1:55 PM)  
Inserted
Nov 25, 2014