Structure of IDP95479

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

Edit deposit information
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

Ligands

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

Structure information

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