Structure of IDP01616

Crystal structure of product-bound complex of spermidine/spermine N-acetyltransferase SpeG

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CSGID target
IDP01616 
PDB Id
6E1X (NCBI MMDB) 
Authors
Filippova, E.V., Minasov, G., Kiryukhina, O., Anderson, W.F., Satchell, K.J.F., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Jul 10, 2018 
Release Date
Jul 10, 2019 

Annotation

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Ligands

Ligand code Name Ligand type
SPM spermine biological
SP5 n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]aceta mide biological
MRD (4R)-2-methylpentane-2,4-diol crystallization
TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL crystallization
MPD unknown crystallization
HLG unknown crystallization

Structure information

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Unit cell parameters

Space Group
C 2 2 2  
Unit Cell

a=185.98Å, b=186.50Å, c=73.72Å
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
30.00-1.35Å (1.38-1.35Å)  
Rall(%)
12.5 
Rwork(%)
12.3 (18.6) 
Rfree(%)
15.1 (21.2) 
Num. observed reflections
276637 (19716) 
Num. Rfree reflections
13831 (1004) 
Completeness(%)
98.8 (95.9) 

Model parameters

Num Atoms
9418  
Num Waters
1469  
Num Hetatoms
1741  
Model mean isotropic B factor
18.580Å2  
RMSD bond length
0.015Å  
RMSD bond angle
1.721°  
Filename uploaded
6e1x.pdb (uploaded on Jul 01, 2020 10:40 AM)  
Inserted
Jul 01, 2020