Structure of IDP97630

Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (FabG) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044 in Complex with NADH

Edit deposit information
CSGID target
IDP97630 
PDB Id
7TZP (NCBI MMDB
Authors
Minasov, G., Shuvalova, L., Dubrovska, I., Kiryukhina, O., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Feb 16, 2022 
Release Date
Mar 02, 2022 

Annotation

Ligands

Ligand code Name Ligand type
MSE modified residue
K crystallization
CL crystallization
NAI 1,4-dihydronicotinamide adenine dinucleotide biological
GOL glycerol crystallization
EDO crystallization

Structure information

Unit cell parameters

Space Group
F 2 2 2  
Unit Cell

a=161.39Å, b=256.02Å, c=260.64Å
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
29.99-2.60Å (2.67-2.60Å)  
Rall(%)
19.1 
Rwork(%)
18.9 (28.5) 
Rfree(%)
22.7 (31.8) 
Num. observed reflections
82332 (5996) 
Num. Rfree reflections
4281 (281) 
Completeness(%)
99.9 (99.8) 

Model parameters

Num Atoms
13922  
Num Waters
697  
Num Hetatoms
1564  
Model mean isotropic B factor
49.130Å2  
RMSD bond length
0.003Å  
RMSD bond angle
1.175°  
Filename uploaded
7tzp.pdb (uploaded on Jun 09, 2022 12:20 PM)  
Inserted
Jun 09, 2022