Structure of PDB 7pgn Chain A Binding Site BS02

Receptor Information
>7pgn Chain A (length=437) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHNCFCIQEVVSGLRQPVGALHSGDGSQRLFILEKEGYVKILTPEGEIFK
EPYLDIHKLVQSGIKGGDERGLLSLAFHPNYKKNGKLYVSYTTNQHDHIL
RVVEYTVSRKNPHQVDLRTARVFLEVAELHRKHLGGQLLFGPDGFLYIIL
GDGMITLDDMEEMDGLSDFTGSVLRLDVDTDMCNVPYSIPRSNPHFNSTN
QPPEVFAHGLHDPGRCAVDRHNINLTILCSDSNGSSARILQIIKGKDYES
EPSLLEFKPLVGGFVYRGCQSERLYGSYVFGDRNGNFLTLQQSPVTKQWQ
EKPLCLGTSGSCRGYFSGHILGFGEDELGEVYILSSSKSQTHNGKLYKIV
DPKRPLMPEECRATVQPAQTLTSECSRLCRNGYCTPTGKCCCSPGWEGDF
CRTAKCEPACRHGGVCVRPNKCLCKKGYLGPQCEQVD
Ligand information
Ligand IDYYJ
InChIInChI=1S/C6H12O18S4/c7-6(2-21-26(11,12)13)5(24-28(17,18)19)4(23-27(14,15)16)3(22-6)1-20-25(8,9)10/h3-5,7H,1-2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6-/m1/s1
InChIKeyUCVVRDOLNRDLDM-ARQDHWQXSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[C]1(CO[S](O)(=O)=O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O
OpenEye OEToolkits 1.7.6C(C1C(C(C(O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
CACTVS 3.370O[C@]1(CO[S](O)(=O)=O)O[C@H](CO[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O[S](O)(=O)=O
FormulaC6 H12 O18 S4
Name1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose
ChEMBL
DrugBank
ZINC
PDB chain7pgn Chain E Residue 2 [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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PDB7pgn Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Resolution2.4 Å
Binding residue
(original residue number in PDB)
K277 G278 G279 K351
Binding residue
(residue number reindexed from 1)
K65 G66 G67 K132
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7pgn, PDBe:7pgn, PDBj:7pgn
PDBsum7pgn
PubMed34887403
UniProtQ96QV1|HHIP_HUMAN Hedgehog-interacting protein (Gene Name=HHIP)

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