Structure of PDB 2rlf Chain C Binding Site BS01

Receptor Information
>2rlf Chain C (length=38) Species: 381517 (Influenza A virus (A/Udorn/307/1972(H3N2))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDPLVVAASIIGILHLILWILDRLFFKSIYRFFEHGLK
Ligand information
Ligand IDRIM
InChIInChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyUBCHPRBFMUDMNC-RMPHRYRLSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](N)C12CC3CC(CC(C3)C1)C2
ACDLabs 10.04NC(C)C13CC2CC(CC(C1)C2)C3
OpenEye OEToolkits 1.5.0C[C@H](C12CC3CC(C1)CC(C3)C2)N
CACTVS 3.341C[C@@H](N)C12CC3CC(CC(C3)C1)C2
OpenEye OEToolkits 1.5.0CC(C12CC3CC(C1)CC(C3)C2)N
FormulaC12 H21 N
NameRIMANTADINE;
1-(1-ADAMANTYL)ETHANAMINE
ChEMBL
DrugBank
ZINC
PDB chain2rlf Chain B Residue 299 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2rlf Structure and mechanism of the M2 proton channel of influenza A virus.
ResolutionN/A
Binding residue
(original residue number in PDB)		W41 R45
Binding residue
(residue number reindexed from 1)		W19 R23
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015078 proton transmembrane transporter activity
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0033644 host cell membrane
GO:0055036 virion membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2rlf, PDBe:2rlf, PDBj:2rlf
PDBsum2rlf
PubMed18235503
UniProtP0DOF5|M2_I72A2 Matrix protein 2 (Gene Name=M)

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