Structure of PDB 8r02 Chain B Binding Site BS01

Receptor Information
>8r02 Chain B (length=182) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLVLVLGDLHIPHRCNSLPAKFKKLLVPGKIQHILCTGNLCTKESYDYLK
TLAGDVHIVRGDFDENLNYPEQKVVTVGQFKIGLIHGHQVIPWGDMASLA
LLQRQFDVDILISGHTHKFEAFEHENKFYINPGSATGAYNALETNIIPSF
VLMDIQASTVVTYVYQLIGDDVKVERIEYKKP
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
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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)		Q72 L101 Q105
Binding residue
(residue number reindexed from 1)		Q72 L101 Q105
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006886 intracellular protein transport
GO:0010506 regulation of autophagy
GO:0015031 protein transport
GO:0032456 endocytic recycling
GO:0042147 retrograde transport, endosome to Golgi
Cellular Component
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005769 early endosome
GO:0005770 late endosome
GO:0005829 cytosol
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0030904 retromer complex
GO:0030906 retromer, cargo-selective complex
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8r02, PDBe:8r02, PDBj:8r02
PDBsum8r02
PubMed38487369
UniProtQ9UBQ0|VPS29_HUMAN Vacuolar protein sorting-associated protein 29 (Gene Name=VPS29)

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