Structure of IDP04388

Crystal Structure of Adenosine Deaminase from Vibrio cholerae Complexed with Pentostatin (Deoxycoformycin)

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CSGID target
IDP04388 
PDB Id
6N91 (NCBI MMDB) 
Authors
'N.Maltseva,Y.Kim,M.Endres,L.Welk,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Natalia Maltseva 
Responsible lab
Argonne National Laboratory 
Deposition Date
Nov 30, 2018 
Release Date
Dec 19, 2018 

Annotation

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Ligands

Ligand code Name Ligand type
DCF 2'-deoxycoformycin crystallization
ZN zinc biological
CXS 3-cyclohexyl-1-propylsulfonic acid crystallization
FMT formate biological
SO4 sulfate crystallization
PO4 crystallization
GOL glycerol crystallization
NA biological
EDO ethylene diol crystallization

Structure information

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Unit cell parameters

Space Group
P 32 2 1  
Unit Cell

a=134.91Å, b=134.91Å, c=136.14Å
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
47.91-2.05Å (2.07-2.05Å)  
Rall(%)
15.5 
Rwork(%)
15.4 (22.2) 
Rfree(%)
17.4 (25.9) 
Num. observed reflections
94076 (2774) 
Num. Rfree reflections
4628 (133) 
Completeness(%)
99.8 (99.8) 

Model parameters

Num Atoms
5493  
Num Waters
385  
Num Hetatoms
505  
Model mean isotropic B factor
40.530Å2  
RMSD bond length
0.007Å  
RMSD bond angle
0.991°  
RMSD dihedral angle
18.403°
 
Filename uploaded
dep.pdb (uploaded on Dec 20, 2018 12:05 PM)  
Inserted
Dec 20, 2018