Structure of PDB 8r02 Chain D Binding Site BS01

Receptor Information
>8r02 Chain D (length=293) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSLVGRFIHLLRSEDPDQQYLILNTARKHFGAGGNQRIRFTLPPLVFAAY
QLAFRYKENSKVDDKWEKKCQKIFSFAHQTISALIKAELAELPLRLFLQG
ALAAGEIGFENHETVAYEFMSQAFSLYEDEISDSKAQLAAITLIIGTFER
MKCFSEENHEPLRTQCALAASKLLKKPDQGRAVSTCAHLFWSGRNTDKNG
EELHGGKRVMECLKKALKIANQCMDPSLQVQLFIEILNRYIYFYEKENDA
VTIQVLNQLIQKIREDLPNLESSEETEQINKHFHNTLEHLRLR
Ligand information
Ligand IDXFZ
InChIInChI=1S/C10H14N8/c11-9(12)17-15-5-7-2-1-3-8(4-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/b15-5+,16-6+
InChIKeyXMHHBYPIBVIERY-IAGONARPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(N)=NN=Cc1cccc(C=NN=C(N)N)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)C=NN=C(N)N)C=NN=C(N)N
OpenEye OEToolkits 2.0.7c1cc(cc(c1)/C=N/N=C(N)N)/C=N/N=C(N)N
CACTVS 3.385NC(N)=N\N=C\c1cccc(/C=N/N=C(N)N)c1
FormulaC10 H14 N8
NameBis-1,3-phenyl guanylhydrazon;
2-[(E)-[3-[(E)-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine
ChEMBL
DrugBank
ZINC
PDB chain8r02 Chain D Residue 801 [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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PDB8r02 Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E722 R726
Binding residue
(residue number reindexed from 1)		E235 R239
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0015031 protein transport
GO:0042147 retrograde transport, endosome to Golgi
Cellular Component
GO:0030906 retromer, cargo-selective complex

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Biological Process
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Cellular Component
External links
PDB RCSB:8r02, PDBe:8r02, PDBj:8r02
PDBsum8r02
PubMed38487369
UniProtQ96QK1|VPS35_HUMAN Vacuolar protein sorting-associated protein 35 (Gene Name=VPS35)

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