Structure of IDP90781

Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound C91

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CSGID target
IDP90781 
PDB Id
4MZ8 (NCBI MMDB) 
Authors
Y.Kim,M.Makowska-Grzyska,M.Gu,S.K.Gorla,L.Hedstrom,W.F.Anderson,A.Joachimiak,Csgid,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Sep 29, 2013 
Release Date
Jul 16, 2014 

Annotation

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Ligands

Ligand code Name Ligand type
C91 unknown biological
SO4 sulfate crystallization
GOL glycerol crystallization
FMT formate crystallization
ACY crystallization
EDO ethylene diol crystallization
CL chloride crystallization
DME decamethonium ion crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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Unit cell parameters

Space Group
P 31 2 1  
Unit Cell

a=114.46Å, b=114.46Å, c=256.31Å
α=90.00, β=90.00, γ=120.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
39.23-2.50Å (2.53-2.50Å)  
Rall(%)
18.2 
Rwork(%)
18.0 (25.3) 
Rfree(%)
21.8 (32.3) 
Num. observed reflections
71319 (2626) 
Num. Rfree reflections
3623 (145) 
Completeness(%)
99.7 (97.0) 

Model parameters

Num Atoms
10752  
Num Waters
294  
Num Hetatoms
433  
Model mean isotropic B factor
65.880Å2  
RMSD bond length
0.008Å  
RMSD bond angle
1.153°  
RMSD dihedral angle
15.474°
 
Filename uploaded
dep.pdb (uploaded on Sep 29, 2013 2:34 PM)  
Inserted
Sep 29, 2013