Structure of IDP07508

1.75 Angstrom Resolution Crystal Structure of D-alanyl-D-alanine Endopeptidase from Enterobacter cloacae in Complex with Covalently Bound Boronic Acid.

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CSGID target
IDP07508 
PDB Id
6AZI (NCBI MMDB) 
Authors
'G.Minasov,Z.Wawrzak,L.Shuvalova,O.Kiryukhina,I.Dubrovska,S.Grimshaw,K.Kwon,W.F.Anderson,K.J.F.Satchell,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Sep 11, 2017 
Release Date
Oct 04, 2017 

Annotation

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Ligands

Ligand code Name Ligand type
MSE modified residue
SEE trihydroxy(l-serinato-kappao~3~)borate(1-) modified residue

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=49.47Å, b=64.23Å, c=79.52Å
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
29.78-1.75Å (1.80-1.75Å)  
Rall(%)
19.0 
Rwork(%)
18.8 (32.3) 
Rfree(%)
23.8 (36.5) 
Num. observed reflections
25360 (1897) 
Num. Rfree reflections
1242 (92) 
Completeness(%)
96.7 (99.8) 

Model parameters

Num Atoms
1929  
Num Waters
265  
Num Hetatoms
387  
Model mean isotropic B factor
22.170Å2  
RMSD bond length
0.008Å  
RMSD bond angle
1.338°  
Filename uploaded
D_1000229948_model-annotate_P1.pdb (uploaded on Oct 01, 2017 12:58 PM)  
Inserted
Oct 01, 2017