Structure of IDP91652

2.25 Angstrom Resolution Crystal Structure of Long-chain-fatty-acid-AMP Ligase FadD32 from Mycobacterium tuberculosis in complex with Inhibitor.

Edit deposit information
CSGID target
IDP91652 
PDB Id
5HM3 (NCBI MMDB
Authors
G.Minasov,Z.Warwrzak,M.L.Kuhn,L.Shuvalova,K.J.Flores,D.J.Wilson,K.D.Grimes,C.C.Aldrich,W.A.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Jan 15, 2016 
Release Date
Aug 03, 2016 

Annotation

Ligands

Ligand code Name Ligand type
CME modified residue
649 5'-o-[(11-phenoxyundecanoyl)sulfamoyl]adenosine biological
CL CHLORIDE ION crystallization
PO4 PHOSPHATE ION crystallization
PEG crystallization
GOL crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=62.78Å, b=74.56Å, c=127.76Å
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
29.36-2.25Å (2.31-2.25Å)  
Rall(%)
18.8 
Rwork(%)
18.5 (25.5) 
Rfree(%)
23.9 (31.1) 
Num. observed reflections
29108 (2094) 
Num. Rfree reflections
1484 (95) 
Completeness(%)
99.8 (99.3) 

Model parameters

Num Atoms
4987  
Num Waters
131  
Num Hetatoms
256  
Model mean isotropic B factor
62.990Å2  
RMSD bond length
0.009Å  
RMSD bond angle
1.521°  
Filename uploaded
D_1000217300_model-annotate_P1.pdb (uploaded on Jul 25, 2016 11:56 AM)  
Inserted
Jul 25, 2016