Structure of PDB 1m4b Chain A Binding Site BS01

Receptor Information
>1m4b Chain A (length=116) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSTKKTQLQLEHLLLDLQMILNGINNYKNPKLTRMLTFCFYMPKKATELK
HLQCLEEELKPLEEVLNLARDLISNINVIVLELKGFMCEYADETATIVEF
LNRWITFCQSIISTLT
Ligand information
Ligand IDNMP
InChIInChI=1S/C17H32N6O3S/c1-11(15(25)20-8-5-9-27)22-13(24)10-21-16(26)14(23-17(18)19)12-6-3-2-4-7-12/h11-12,14,27H,2-10H2,1H3,(H,20,25)(H,21,26)(H,22,24)(H4,18,19,23)/t11-,14+/m0/s1
InChIKeyYLLNYDDZOMCFDE-SMDDNHRTSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](NC(=O)CNC(=O)[CH](NC(N)=N)C1CCCCC1)C(=O)NCCCS
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)NCCCS)NC(=O)CNC(=O)[C@@H](C1CCCCC1)NC(=N)N
CACTVS 3.341C[C@H](NC(=O)CNC(=O)[C@H](NC(N)=N)C1CCCCC1)C(=O)NCCCS
OpenEye OEToolkits 1.5.0CC(C(=O)NCCCS)NC(=O)CNC(=O)C(C1CCCCC1)NC(=N)N
ACDLabs 10.04O=C(NCCCS)C(NC(=O)CNC(=O)C(NC(=[N@H])N)C1CCCCC1)C
FormulaC17 H32 N6 O3 S
Name2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE
ChEMBL
DrugBankDB04278
ZINCZINC000015677257
PDB chain1m4b Chain A Residue 201 [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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PDB1m4b Binding of small molecules to an adaptive protein-protein interface
Resolution2.15 Å
Binding residue
(original residue number in PDB)		F42 C43 Y45 E62 P65
Binding residue
(residue number reindexed from 1)		F38 C39 Y41 E58 P61
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005125 cytokine activity
GO:0005134 interleukin-2 receptor binding
GO:0005515 protein binding
GO:0008083 growth factor activity
GO:0019209 kinase activator activity
GO:0030246 carbohydrate binding
GO:0031851 kappa-type opioid receptor binding
GO:0043208 glycosphingolipid binding
Biological Process
GO:0002250 adaptive immune response
GO:0002366 leukocyte activation involved in immune response
GO:0002639 positive regulation of immunoglobulin production
GO:0002903 negative regulation of B cell apoptotic process
GO:0006366 transcription by RNA polymerase II
GO:0006955 immune response
GO:0007155 cell adhesion
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007267 cell-cell signaling
GO:0008284 positive regulation of cell population proliferation
GO:0010467 gene expression
GO:0030101 natural killer cell activation
GO:0030217 T cell differentiation
GO:0030307 positive regulation of cell growth
GO:0030890 positive regulation of B cell proliferation
GO:0032729 positive regulation of type II interferon production
GO:0032740 positive regulation of interleukin-17 production
GO:0034105 positive regulation of tissue remodeling
GO:0038110 interleukin-2-mediated signaling pathway
GO:0042098 T cell proliferation
GO:0042102 positive regulation of T cell proliferation
GO:0042104 positive regulation of activated T cell proliferation
GO:0043066 negative regulation of apoptotic process
GO:0045471 response to ethanol
GO:0045582 positive regulation of T cell differentiation
GO:0045591 positive regulation of regulatory T cell differentiation
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046013 regulation of T cell homeostatic proliferation
GO:0046651 lymphocyte proliferation
GO:0048304 positive regulation of isotype switching to IgG isotypes
GO:0050672 negative regulation of lymphocyte proliferation
GO:0050728 negative regulation of inflammatory response
GO:0050729 positive regulation of inflammatory response
GO:0050798 activated T cell proliferation
GO:0060999 positive regulation of dendritic spine development
GO:0097192 extrinsic apoptotic signaling pathway in absence of ligand
GO:0097696 cell surface receptor signaling pathway via STAT
GO:1900100 positive regulation of plasma cell differentiation
GO:1901327 response to tacrolimus
GO:2000320 negative regulation of T-helper 17 cell differentiation
GO:2000561 regulation of CD4-positive, alpha-beta T cell proliferation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1m4b, PDBe:1m4b, PDBj:1m4b
PDBsum1m4b
PubMed12582206
UniProtP60568|IL2_HUMAN Interleukin-2 (Gene Name=IL2)

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