Structure of IDP95820

Crystal structure of Equine Serum Albumin complex with etodolac

Edit deposit information
CSGID target
IDP95820 
PDB Id
5V0V (NCBI MMDB
Authors
M.P.Czub,I.G.Shabalin,K.B.Handing,B.S.Venkataramany,E.H.Steen,W.F.Anderson,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Mateusz Czub 
Responsible lab
University of Virginia 
Deposition Date
Feb 28, 2017 
Release Date
Mar 15, 2017 

Annotation

Ligands

Ligand code Name Ligand type
TRS Tris(hydroxymethyl)aminomethane crystallization
SO4 crystallization
ETS (4s-trans)-4-(ethylamino)-5,6-dihydro-6-methyl-4h-thien o(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide biological
ETD ethenylene group biological

Structure information

Unit cell parameters

Space Group
P 61  
Unit Cell

a=94.21Å, b=94.21Å, c=141.82Å
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
50.01-2.45Å (2.51-2.45Å)  
Rall(%)
18.3 
Rwork(%)
18.0 (32.6) 
Rfree(%)
23.8 (38.2) 
Num. observed reflections
26188 (1912) 
Num. Rfree reflections
1414 (97) 
Completeness(%)
99.9 (98.9) 

Model parameters

Num Atoms
4512  
Num Waters
164  
Num Hetatoms
315  
Model mean isotropic B factor
64.660Å2  
RMSD bond length
0.007Å  
RMSD bond angle
1.144°  
Filename uploaded
hkl_refine_146.pdb_tls (uploaded on Feb 28, 2017 8:59 PM)  
Inserted
Feb 28, 2017