Structure of PDB 2vgl Chain A Binding Site BS01

Receptor Information
>2vgl Chain A (length=600) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMRGLAVFISDIRNCKSKEAEIKRINKELANIRSKFKGDKALDGYSKKKY
VCKLLFIFLLGHDIDFGHMEAVNLLSSNRYTEKQIGYLFISVLVNSNSEL
IRLINNAIKNDLASRNPTFMGLALHCIANVGSREMAEAFAGEIPKILVAG
DTMDSVKQSAALCLLRLYRTSPDLVPMGDWTSRVVHLLNDQHLGVVTAAT
SLITTLAQKNPEEFKTSVSLAVSRLSRIVTSASTDLQDYTYYFVPAPWLS
VKLLRLLQCYPPPEDPAVRGRLTECLETILNKAQEPPKSKKVQHSNAKNA
VLFEAISLIIHHDSEPNLLVRACNQLGQFLQHRETNLRYLALESMCTLAS
SEFSHEAVKTHIETVINALKTERDVSVRQRAVDLLYAMCDRSNAQQIVAE
MLSYLETADYSIREEIVLKVAILAEKYAVDYTWYVDTILNLIRIAGDYVS
EEVWYRVIQIVINRDDVQGYAAKTVFEALQAPACHENLVKVGGYILGEFG
NLIAGDPRSSPLIQFNLLHSKFHLCSVPTRALLLSTYIKFVNLFPEVKAT
IQDVLRSDSQLKNADVELQQRAVEYLRLSTVASTDILATVLEEMPPFPER
Ligand information
Ligand IDIHP
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain2vgl Chain A Residue 1609 [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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PDB2vgl Molecular Architecture and Functional Model of the Endocytic Ap2 Complex
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R11 G12 K43 Y53 K57 Y58 K61
Binding residue
(residue number reindexed from 1)		R3 G4 K35 Y45 K49 Y50 K53
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006886 intracellular protein transport
GO:0016192 vesicle-mediated transport
Cellular Component
GO:0005794 Golgi apparatus
GO:0030117 membrane coat
GO:0030121 AP-1 adaptor complex

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2vgl, PDBe:2vgl, PDBj:2vgl
PDBsum2vgl
PubMed12086608
UniProtP18484|AP2A2_RAT AP-2 complex subunit alpha-2 (Gene Name=Ap2a2)

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