Structure of PDB 8wky Chain A Binding Site BS02

Receptor Information
>8wky Chain A (length=468) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLFVSPVVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADML
VSVSLGFETIVITLLNSTDAQSFTVNIDNVIDSVICASLLASICSLLSIA
VDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVI
ICLITMFFTMLALMASLYVHMFLMARLHGIDCSFWNESYLTGSRDERKKS
LLSKFGMDEGVTFMFIGRFDRGQKGVDVLLKAIEILSSKKEFQEMRFIII
GKGDPELEGWARSLEEKHGNVKVITEMLSREFVRELYGSVDFVIIPSYFE
PFGLVALEAMCLGAIPIASAVGGLRDIITNETGILVKAGDPGELANAILK
ALELSRSDLSKFRENCKKRAMSFSRQGANMKGAITLTILIGVFVVCWAPF
FLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIINPLIYALRSQELRK
TFKEIICCYEFLEVLFQG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8wky Chain A Residue 2101 [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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PDB8wky Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E100 D122 D126 Y268
Binding residue
(residue number reindexed from 1)		E58 D78 D82 Y407
Annotation score4
External links
PDB RCSB:8wky, PDBe:8wky, PDBj:8wky
PDBsum8wky
PubMed38345933
UniProtP32245|MC4R_HUMAN Melanocortin receptor 4 (Gene Name=MC4R)

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