Structure of IDP91646

Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis In the presence of G36

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CSGID target
IDP91646 
PDB Id
5UPV (NCBI MMDB) 
Authors
Y.Kim,N.Maltseva,R.Mulligan,M.Makowska-Grzyska,M.Gu,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Feb 04, 2017 
Release Date
Feb 22, 2017 

Annotation

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Ligands

Ligand code Name Ligand type
IMP Inosine monophosphate biological
G36 o6-ethyl-2'-deoxyguanosine-5'-monophosphate biological
FMT formate crystallization
EDO ethylene diol crystallization

Structure information

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Unit cell parameters

Space Group
I 4  
Unit Cell

a=88.13Å, b=88.13Å, c=84.36Å
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
35.71-1.63Å (1.67-1.63Å)  
Rall(%)
16.4 
Rwork(%)
16.3 (30.8) 
Rfree(%)
18.4 (33.5) 
Num. observed reflections
40897 (2511) 
Num. Rfree reflections
1954 (130) 
Completeness(%)
97.1 (81.0) 

Model parameters

Num Atoms
2534  
Num Waters
159  
Num Hetatoms
228  
Model mean isotropic B factor
36.590Å2  
RMSD bond length
0.006Å  
RMSD bond angle
0.895°  
RMSD dihedral angle
11.24°
 
Filename uploaded
dep.pdb (uploaded on Feb 15, 2017 5:20 PM)  
Inserted
Feb 15, 2017