Structure of PDB 4lcc Chain C Binding Site BS01

Receptor Information
>4lcc Chain C (length=341) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IQRPPKIQVYSRHPPNYLNCYVYGFHPPQIEIDLLKIKSEQSDLSFSKDW
SFYLLSHATPNSKDQYSCRVKHVTLEQPRIVKWDRTHSLRYFRLGISEIP
EFISAGYVDSHPITMYNSVSQLKEPRALWMEENLAPDHWERYTQLLRGWQ
QMFKVELKQLQHHYNHSGFHTYQRMIGCELLEDGSITGFLQYAYDGQDFL
IFNKDTLSWMAMDNVADIIRRVWEANQHELLYQKNWLEEECIAWLKRFLE
YGKDALQRTEPPKVRVNHKTTLYCRAYGFYPPEISINWMKNGEEIFQDTD
YGGILPSGDGTYQTWVSVELGDIYSCHVEHGGVHMVLQGFQ
Ligand information
Ligand ID1XL
InChIInChI=1S/C12H16N4O7/c17-3-5-1-16(2-6(19)9(21)7(20)4-18)10-8(13-5)11(22)15-12(23)14-10/h1,6-7,9,17-21H,2-4H2,(H,15,22,23)/t6-,7-,9+/m1/s1
InChIKeyRTNMDIMJQSRAGT-BHNWBGBOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)CN1C=C(CO)N=C2C(=O)NC(=O)N=C12
ACDLabs 12.01O=C1C2=NC(=CN(C2=NC(=O)N1)CC(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.7.6C1=C(N=C2C(=O)NC(=O)N=C2N1CC(C(C(CO)O)O)O)CO
OpenEye OEToolkits 1.7.6C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@H]([C@@H]([C@@H](CO)O)O)O)CO
CACTVS 3.385OC[C@@H](O)[C@@H](O)[C@H](O)CN1C=C(CO)N=C2C(=O)NC(=O)N=C12
FormulaC12 H16 N4 O7
Name1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-arabinitol
ChEMBL
DrugBank
ZINCZINC000095920632
PDB chain4lcc Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lcc MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1.
Resolution3.263 Å
Binding residue
(original residue number in PDB)		Y120 R122 K156 Y175 W182 R207 Y265
Binding residue
(residue number reindexed from 1)		Y91 R93 K123 Y142 W149 R174 Y232
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0023026 MHC class II protein complex binding
GO:0042605 peptide antigen binding
Biological Process
GO:0002474 antigen processing and presentation of peptide antigen via MHC class I
GO:0002503 peptide antigen assembly with MHC class II protein complex
GO:0006955 immune response
GO:0019886 antigen processing and presentation of exogenous peptide antigen via MHC class II
GO:0050778 positive regulation of immune response
GO:0050870 positive regulation of T cell activation
Cellular Component
GO:0005576 extracellular region
GO:0005765 lysosomal membrane
GO:0031902 late endosome membrane
GO:0042612 MHC class I protein complex
GO:0042613 MHC class II protein complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4lcc, PDBe:4lcc, PDBj:4lcc
PDBsum4lcc
PubMed24108697
UniProtC1ITJ8;
P01888

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