Structure of PDB 9feh Chain A Binding Site BS02

Receptor Information
>9feh Chain A (length=264) Species: 9606,2697049 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLPAHLRLQPIYWSRDDVAQWLKWAENEFSLRPIDSNTFEMNGKALLLLT
KEDFRYRSPHSGDELYELLQHILKQPAAGDELKINAACRKVQHMVVKAAL
LADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYA
THSDKFTDGVCLFWNCNVDRYPANSIVCRFKSAFVNLKQLPFFYYSDSPC
ESHDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWV
YKQFDTYNLWNTFT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain9feh Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9feh Structure of SARS-CoV-2 MTase nsp14 with the inhibitor STM957 reveals inhibition mechanism that is shared with a poxviral MTase VP39.
Resolution1.99 Å
Binding residue
(original residue number in PDB)
C452 C477 C484 H487
Binding residue
(residue number reindexed from 1)
C200 C217 C224 H227
Annotation score1
External links
PDB RCSB:9feh, PDBe:9feh, PDBj:9feh
PDBsum9feh
PubMed39188530
UniProtP0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep);
P41212|ETV6_HUMAN Transcription factor ETV6 (Gene Name=ETV6)

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