Structure of IDP97218

Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the complex with the hydrolyzed antibiotic moxalactam.

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CSGID target
IDP97218 
PDB Id
6U13 (NCBI MMDB) 
Authors
'Y.Kim,N.Maltseva,M.Endres,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Aug 15, 2019 
Release Date
Sep 11, 2019 

Annotation

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Ligands

Ligand code Name Ligand type
JNK n-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-me thoxycyclohexanecarboxamide biological
ZN zinc biological
EDO ethylene diol crystallization

Structure information

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Unit cell parameters

Space Group
P 64 2 2  
Unit Cell

a=103.92Å, b=103.92Å, c=98.93Å
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
35.83-1.52Å (1.55-1.52Å)  
Rall(%)
12.9 
Rwork(%)
12.7 (23.3) 
Rfree(%)
16.0 (27.5) 
Num. observed reflections
50704 (2385) 
Num. Rfree reflections
2606 (124) 
Completeness(%)
99.1 (90.0) 

Model parameters

Num Atoms
2069  
Num Waters
291  
Num Hetatoms
335  
Model mean isotropic B factor
18.130Å2  
RMSD bond length
0.005Å  
RMSD bond angle
0.817°  
RMSD dihedral angle
13.25°
 
Filename uploaded
dep-n.pdb (uploaded on Sep 10, 2019 8:12 AM)  
Inserted
Sep 10, 2019