Structure of IDP97033

High Resolution Crystal Structure of Putative Pterin Binding Protein (PruR) from Vibrio cholerae O1 biovar El Tor str. N16961 in Complex with Neopterin

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CSGID target
IDP97033 
PDB Id
7KP2 (NCBI MMDB) 
Authors
Minasov, G., Shuvalova, L., Kiryukhina, O., Pshenychnyi, S., Dubrovska, I., Endres, M., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Nov 10, 2020 
Release Date
Nov 17, 2021 

Annotation

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Ligands

Ligand code Name Ligand type
MSE modified residue
NEO neopterin biological

Structure information

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Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=33.49Å, b=54.62Å, c=33.45Å
α=90.00, β=91.50, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
21.48-1.03Å (1.06-1.03Å)  
Rall(%)
13.2 
Rwork(%)
13.1 (23.1) 
Rfree(%)
14.8 (23.9) 
Num. observed reflections
57105 (3973) 
Num. Rfree reflections
2912 (195) 
Completeness(%)
96.3 (91.0) 

Model parameters

Num Atoms
1186  
Num Waters
174  
Num Hetatoms
249  
Model mean isotropic B factor
11.590Å2  
RMSD bond length
0.007Å  
RMSD bond angle
1.486°  
Filename uploaded
7kp2.pdb (uploaded on Dec 02, 2021 2:09 PM)  
Inserted
Dec 02, 2021