Structure of IDP91646

Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor MAD1

Edit deposit information
CSGID target
IDP91646 
PDB Id
4ZQP (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
May 10, 2015 
Release Date
Jun 17, 2015 

Annotation

Ligands

Ligand code Name Ligand type
IMP biological
KP3 biological
K biological
PO4 PHOSPHATE ION crystallization
GOL crystallization
PGO crystallization

Structure information

Unit cell parameters

Space Group
I 4  
Unit Cell

a=88.22Å, b=88.22Å, c=84.63Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
35.76-1.89Å (1.96-1.89Å)  
Rall(%)
14.5 
Rwork(%)
14.3 (21.9) 
Rfree(%)
18.9 (28.6) 
Num. observed reflections
26355 (2220) 
Num. Rfree reflections
1336 (117) 
Completeness(%)
96.3 (77.0) 

Model parameters

Num Atoms
2663  
Num Waters
169  
Num Hetatoms
175  
Model mean isotropic B factor
28.100Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.380°  
RMSD dihedral angle
14.39°
 
Filename uploaded
dep-nn.pdb (uploaded on Aug 10, 2015 7:09 PM)  
Inserted
Aug 10, 2015