Development of Potent Inhibitors Against Bacterial Prolyl-tRNA Synthetase Using Fluorine Scanning
Luo, Z., Qiu, H., Tan, Q., Chen, B., Xu, J., Gu, Q., Zhou, H.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Bifunctional glutamate/proline--tRNA ligase | 524 | Homo sapiens | Mutation(s): 0  Gene Names: EPRS1, EPRS, GLNS, PARS, QARS, QPRS, PIG32 EC: 6.1.1.17 (PDB Primary Data), 6.1.1.15 (PDB Primary Data) | ![]() | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P07814 (Homo sapiens) Explore P07814  Go to UniProtKB:  P07814 | |||||
PHAROS:  P07814 GTEx:  ENSG00000136628  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P07814 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 2 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
W2H (Subject of Investigation/LOI) Query on W2H | C [auth A], F [auth B] | (2~{S})-~{N}-[3-(4-azanylquinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide C19 H19 N5 O3 S JRXNDYWEXINZFU-MRXNPFEDSA-N | |||
EDO Query on EDO | D [auth A], E [auth A], G [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |
Length ( ? ) | Angle ( ? ) |
---|---|
a = 71.602 | ¦Á = 90 |
b = 92.157 | ¦Â = 108.629 |
c = 86.621 | ¦Ă = 90 |
Software Name | Purpose |
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REFMAC | refinement |
HKL-3000 | data reduction |
HKL-3000 | data scaling |
MOLREP | phasing |
Funding Organization | Location | Grant Number |
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National Natural Science Foundation of China (NSFC) | China | 22207133 |