Structure of PDB 8yp3 Chain A Binding Site BS02

Receptor Information

>8yp3 Chain A (length=471) Species: 7108 (Spodoptera frugiperda) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YDSIFENLNSHGQGHLLKYWPDLSEKERAQLLNDLKKIDFAEVNELFRRA
NDTSKVIQEKVEDLKPIPDSHYEAVPNLSNEKILEYENIGLREISDGKVG
VLLLAGGQATRLGFGHPKGMYDVGLPSRKTLFQIQAERIVRVQQMAAEKY
GKEGKITWYIMTSEHTRGPTADYFRSHNYFGLNEEDIVYFEQGTLPCFDF
EGKIFLDEKYHVSSAPDGNGGLYRALKNQGVLDDIAKRGVEHLHAHSVDN
ILIKVADPVFIGYCKSKNADCAAKVVQKSTPSEAVGVVCRVNGHYKVVEY
SELTDEAAESRTADGRLTFSAGNICNHYFSSEFLTKICNFESKLKLHVAK
KKIPYVDHEGVRQKPTEPNGIKMEKFIFDVFEFAENFICLEVARDVEFSA
LKNNDAAKKDCPSTAREDLLRLHRKYVREAGGIVEDNIDVEISPLLSYGG
ENLTDLVSGEVFTISPYHLKS

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

8yp3 Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8yp3 Structure and Inhibition of Insect UDP- N -acetylglucosamine Pyrophosphorylase: A Key Enzyme in the Hexosamine Biosynthesis Pathway.
Resolution	2.12 Å
Binding residue (original residue number in PDB)	N332 C334 H336
Binding residue (residue number reindexed from 1)	N323 C325 H327
Annotation score	1

External links

PDB	RCSB:8yp3, PDBe:8yp3, PDBj:8yp3
PDBsum	8yp3
PubMed	39039661
UniProt	A0A2H1VI03

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