Structure of IDP97990

Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa in Complex with Covalently Bound Clavulanic Acid

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CSGID target
IDP97990 
PDB Id
7L5T (NCBI MMDB) 
Authors
Minasov, G., Shuvalova, L., Rosas-Lemus, M., Brunzelle, J.S., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID),  
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Dec 22, 2020 
Release Date
Dec 29, 2021 

Annotation

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Ligands

Ligand code Name Ligand type
KCX modified residue
ISS (2e)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal biological
SO4 sulfate crystallization
CL chloride crystallization

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=48.94Å, b=95.45Å, c=125.97Å
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
29.91-1.88Å (1.93-1.88Å)  
Rall(%)
16.9 
Rwork(%)
16.7 (22.9) 
Rfree(%)
19.6 (25.6) 
Num. observed reflections
48689 (3456) 
Num. Rfree reflections
2434 (181) 
Completeness(%)
99.8 (98.6) 

Model parameters

Num Atoms
3904  
Num Waters
348  
Num Hetatoms
498  
Model mean isotropic B factor
31.170Å2  
RMSD bond length
0.006Å  
RMSD bond angle
1.321°  
Filename uploaded
7l5t.pdb (uploaded on Mar 11, 2022 11:57 AM)  
Inserted
Mar 11, 2022