Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T14755 | Target Info | |||
| Target Name | TNF related activation protein (CD40LG) | ||||
| Synonyms | Tumor necrosis factor ligand superfamily member 5; TRAP; TNFSF5; TNF-related activation protein; T-cell antigen Gp39; T cell antigen Gp39; CD40L; CD40-L; CD40 ligand; CD154 antigen; CD154 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CD40LG | ||||
| Biochemical Class | Cytokine: tumor necrosis factor | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: (S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-YL)butanoic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of the Fab fragment of humanized 5c8 antibody containing the fluorescent non-canonical amino acid L-(7-hydroxycoumarin-4-yl)ethylglycine in complex with CD40L at pH 6.8 | PDB:6W9G | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [1] |
| PDB Sequence |
NPQIAAHVIS
128 EASSKTSVLQ139 WAEKGYYTMS149 NNLVTLENGK159 QLTVKRQGLY169 YIYAQVTFCS 179 NRAPFIASLC194 LKSPGRFERI204 LLRAANTHSS214 AKPCGQQSIH224 LGGVFELQPG 234 ASVFVNVTDP244 SQVSHGTGFT254 SFGLLKL
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2,5,8,11-Tetraoxatridecan-13-ol | Ligand Info | |||||
| Structure Description | Crystal Structure of the Fab fragment of humanized 5c8 antibody containing the fluorescent non-canonical amino acid L-(7-hydroxycoumarin-4-yl)ethylglycine in complex with CD40L at pH 6.8 | PDB:6W9G | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [1] |
| PDB Sequence |
NPQIAAHVIS
128 EASSKTSVLQ139 WAEKGYYTMS149 NNLVTLENGK159 QLTVKRQGLY169 YIYAQVTFCS 179 NRAPFIASLC194 LKSPGRFERI204 LLRAANTHSS214 AKPCGQQSIH224 LGGVFELQPG 234 ASVFVNVTDP244 SQVSHGTGFT254 SFGLLKL
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| Ligand Name: Trimethylamine oxide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Fab fragment of humanized 5c8 antibody containing the fluorescent non-canonical amino acid L-(7-hydroxycoumarin-4-yl)ethylglycine in complex with CD40L at pH 6.8 | PDB:6W9G | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [1] |
| PDB Sequence |
NPQIAAHVIS
128 EASSKTSVLQ139 WAEKGYYTMS149 NNLVTLENGK159 QLTVKRQGLY169 YIYAQVTFCS 179 NRAPFIASLC194 LKSPGRFERI204 LLRAANTHSS214 AKPCGQQSIH224 LGGVFELQPG 234 ASVFVNVTDP244 SQVSHGTGFT254 SFGLLKL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMO or .TMO2 or .TMO3 or :3TMO;style chemicals stick;color identity;select .A:178 or .A:217 or .A:218 or .A:220 or .A:129; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
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| REF 1 | Structural Insights into How Protein Environments Tune the Spectroscopic Properties of a Noncanonical Amino Acid Fluorophore. Biochemistry. 2020 Sep 22;59(37):3401-3410. | ||||
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