Structure of IDP06558

Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril

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CSGID target
IDP06558 
PDB Id
6V61 (NCBI MMDB) 
Authors
Maltseva, N., Kim, Y., Clancy, S., Endres, M., Mulligan, R., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Natalia Maltseva 
Responsible lab
Argonne National Laboratory 
Deposition Date
Dec 04, 2019 
Release Date
Dec 19, 2020 

Annotation

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Ligands

Ligand code Name Ligand type
ZN zinc biological
EDO ethylene diol crystallization
X8Z l-captopril crystallization
NA crystallization
FMT formate crystallization
CL chloride crystallization

Structure information

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Unit cell parameters

Space Group
H 3 2  
Unit Cell

a=77.89Å, b=77.89Å, c=241.43Å
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
44.98-1.58Å (1.62-1.58Å)  
Rall(%)
16.8 
Rwork(%)
16.7 (2005.0) 
Rfree(%)
19.5 (2465.0) 
Num. observed reflections
40878 (2547) 
Num. Rfree reflections
2047 (2773) 
Completeness(%)
99.8 (84.5) 

Model parameters

Num Atoms
1720  
Num Waters
169  
Num Hetatoms
229  
Model mean isotropic B factor
29.260Å2  
RMSD bond length
0.008Å  
RMSD bond angle
0.945°  
RMSD dihedral angle
19.313°
 
Filename uploaded
14Zncaptopril_refine_016.pdb (uploaded on Jul 06, 2020 12:53 PM)  
Inserted
Jul 06, 2020