Structure of PDB 1hg2 Chain A Binding Site BS01

Receptor Information
>1hg2 Chain A (length=263) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSAVSKTVCKATTHEIMGPKKKHLDYLIQCTNEMNVNIPQLADSLFERTT
NSSWVVVFKSLITTHHLMVYGNERFIQYLASRNTLFNLSNFLDKSGLQGY
DMSTFIRRYSRYLNEKAVSYRQVAFDFTKVKRGADGVMRTMNTEKLLKTV
PIIQNQMDALLDFNVNSNELTNGVINAAFMLLFKDAIRLFAAYNEGIINL
LEKYFDMKKNQCKEGLDIYKKFLTRMTRISEFLKVAEQVGIDRGDIPDLS
QAPSSLLDALEQH
Ligand information
Ligand IDIP2
InChIInChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1
InChIKeyMCKAJXMRULSUKI-UZAAGFTCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O
CACTVS 3.341O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O
OpenEye OEToolkits 1.5.0[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O
ACDLabs 10.04O=P(OC1C(O)C(O)C(O)C(O)C1OP(=O)(O)O)(O)O
FormulaC6 H14 O12 P2
NameD-MYO-INOSITOL-4,5-BISPHOSPHATE
ChEMBLCHEMBL21825
DrugBank
ZINCZINC000004096301
PDB chain1hg2 Chain A Residue 1282 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hg2 Simultaneous Binding of Ptdins(4,5)P2 and Clathrin by Ap180 in the Nucleation of Clathrin Lattices on Membranes
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K38 K40 H41
Binding residue
(residue number reindexed from 1)		K20 K22 H23
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005543 phospholipid binding
GO:0005545 1-phosphatidylinositol binding
GO:0030276 clathrin binding
Biological Process
GO:0048268 clathrin coat assembly
GO:0072583 clathrin-dependent endocytosis
Cellular Component
GO:0030136 clathrin-coated vesicle

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Molecular Function
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Cellular Component
External links
PDB RCSB:1hg2, PDBe:1hg2, PDBj:1hg2
PDBsum1hg2
PubMed11161218
UniProtO55012|PICAL_RAT Phosphatidylinositol-binding clathrin assembly protein (Gene Name=Picalm)

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