Structure of PDB 8a1s Chain B Binding Site BS01

Receptor Information
>8a1s Chain B (length=533) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGFQICKNALKLPVLEVLPGGGWDNLRNVDMGRVMDLTYTNCKTTEDGQY
IIPDEVYTIPQKESNLEMNSEVLESWMNYQSTTSLSINTELALFSRVNGK
FSTEFQRMKTLQVKDQAVTTRVQVRNRIYTVKTTPTSELSLGFTKALMDI
CDQLEKNQTKMATYLAELLILNYGTHVITSVDAGAALVQEDHVRSSFLLD
NQNSQNTVTASAGIAFLNIVNFKVETDYISQTSLTKDYLSNRTNSRVQSF
GGVPFYPGITLETWQKGITNHLVAIDRAGLPLHFFIKPDKLPGLPGPLVK
KLSKTVETAVRHYYTFNFTFGGVYQECTELSGDVLCQNLEQKNLLTGDFS
CPPGYSPVHLLSQTHEEGYSRLECKKKCTLKIFCKTVCEDVFRVAKAEFR
AYWCVAAGQVPDNSGLLFGGVFTDKTINPMTNAQSCPAGYIPLNLFESLK
VCVSLDYELGFKFSVPFGGFFSCIMGNPLVNAPSLKKCPGGFSQHLAVIS
DGCQVSYCVKAGIFTGGSLLPVRLPPYTKPPLM
Ligand information
Ligand IDMA4
InChIInChI=1S/C24H44O11/c25-12-15-17(27)18(28)20(30)24(33-15)35-22-16(13-26)34-23(21(31)19(22)29)32-11-7-2-1-4-8-14-9-5-3-6-10-14/h14-31H,1-13H2/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1
InChIKeyWUCWJXGMSXTDAV-QKMCSOCLSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04O(CCCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
OpenEye OEToolkits 1.5.0C1CCC(CC1)CCCCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.5.0C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC24 H44 O11
NameCYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
ChEMBL
DrugBankDB03472
ZINCZINC000016051503
PDB chain8a1s Chain B Residue 702 [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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PDB8a1s Cryo-EM structures of perforin-2 in isolation and assembled on a membrane suggest a mechanism for pore formation.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		M105 Y266 G426 Y427 S428
Binding residue
(residue number reindexed from 1)		M77 Y238 G368 Y369 S370
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022829 wide pore channel activity
GO:0140911 pore-forming activity
Biological Process
GO:0002250 adaptive immune response
GO:0002468 dendritic cell antigen processing and presentation
GO:0002478 antigen processing and presentation of exogenous peptide antigen
GO:0042590 antigen processing and presentation of exogenous peptide antigen via MHC class I
GO:0042742 defense response to bacterium
GO:0045087 innate immune response
GO:0050829 defense response to Gram-negative bacterium
GO:0050830 defense response to Gram-positive bacterium
GO:0055085 transmembrane transport
GO:0140367 antibacterial innate immune response
Cellular Component
GO:0016020 membrane
GO:0030670 phagocytic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0036019 endolysosome
GO:0045335 phagocytic vesicle
GO:0061474 phagolysosome membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8a1s, PDBe:8a1s, PDBj:8a1s
PDBsum8a1s
PubMed36245269
UniProtA1L314|MPEG1_MOUSE Macrophage-expressed gene 1 protein (Gene Name=Mpeg1)

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