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 P12

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CSGID target
IDP90781 
PDB Id
4MZ1 (NCBI MMDB) 
Authors
Y.Kim,M.Makowska-Grzyska,M.Gu,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 28, 2013 
Release Date
Jan 01, 2014 

Annotation

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Ligands

Ligand code Name Ligand type
PTW 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane biological
K biological
SO4 sulfate crystallization
PO4 crystallization
ACY crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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Unit cell parameters

Space Group
I 4 2 2  
Unit Cell

a=118.06Å, b=118.06Å, c=435.16Å
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
45.57-2.40Å (2.44-2.40Å)  
Rall(%)
17.4 
Rwork(%)
17.2 (25.0) 
Rfree(%)
21.2 (28.7) 
Num. observed reflections
61704 (2602) 
Num. Rfree reflections
3116 (122) 
Completeness(%)
96.6 (91.0) 

Model parameters

Num Atoms
8103  
Num Waters
202  
Num Hetatoms
324  
Model mean isotropic B factor
37.560Å2  
RMSD bond length
0.008Å  
RMSD bond angle
1.150°  
RMSD dihedral angle
14.216°
 
Filename uploaded
dep.pdb (uploaded on Sep 28, 2013 7:30 PM)  
Inserted
Sep 28, 2013