Structure of PDB 8wia Chain A Binding Site BS01
Receptor Information
>8wia Chain A (length=402) Species:
562
(Escherichia coli) [
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MRDHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELEVFVRSKLKEYQY
QEVKGPFMMDRVLWEKTGHWDNYKDAMFTTSSENREYCIKPMNCPGHVQI
FNQGLKSYRDLPLRMAEFGSCHRNEPSGSLHGLMRVRGFTQDDAHIFCTE
EQIRDEVNGCIRLVYDMYSTFGFEKIVVKLSTRPEKRIGSDEMWDRAEAD
LAVALEENNIPFEYQLGEGAFYSPKIEFTLYDCLDRAWQCGTVQLDFSLP
SRLSASYVGEDNERKVPVMIHRAILGSMERFIGILTEEFAGFFPTWLAPV
QVVIMNITDSQSEYVNELTQKLSNAGIRVKADLRNEKIGFKIREHTLRRV
PYMLVCGDKEVESGKVAVRTRRGKDLGSMDVNEVIEKLQQEIRSRSLKQL
EE
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
8wia Chain A Residue 701 [
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Receptor-Ligand Complex Structure
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PDB
8wia
Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Resolution
1.96 Å
Binding residue
(original residue number in PDB)
H385 H511
Binding residue
(residue number reindexed from 1)
H145 H271
Annotation score
4
External links
PDB
RCSB:8wia
,
PDBe:8wia
,
PDBj:8wia
PDBsum
8wia
PubMed
39014102
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