Structure of IDP95479

2.4 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with DZ2002 and NAD

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CSGID target
IDP95479 
PDB Id
5TLS (NCBI MMDB) 
Authors
G.Minasov,L.Shuvalova,O.Kiryukhina,I.Dubrovska,B.Bishop,K.Kwon,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Oct 11, 2016 
Release Date
Oct 26, 2016 

Annotation

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Ligands

Ligand code Name Ligand type
NAD biological
ZD2 (2s)-4-(6-amino-9h-purin-9-yl)-2-hydroxybutanoic acid biological
CL chloride crystallization
PO4 crystallization
GOL glycerol crystallization

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=118.52Å, b=133.03Å, c=174.86Å
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
29.95-2.40Å (2.46-2.40Å)  
Rall(%)
15.2 
Rwork(%)
15.0 (23.3) 
Rfree(%)
18.7 (25.5) 
Num. observed reflections
108333 (7904) 
Num. Rfree reflections
5416 (389) 
Completeness(%)
99.9 (100.0) 

Model parameters

Num Atoms
15771  
Num Waters
1036  
Num Hetatoms
1385  
Model mean isotropic B factor
49.870Å2  
RMSD bond length
0.009Å  
RMSD bond angle
1.505°  
Filename uploaded
5tls.pdb (uploaded on Nov 08, 2016 4:06 PM)  
Inserted
Nov 08, 2016