MACS Matchmaker
DNA-Encoded Library (DEL) hits arrive as a small molecule covalently attached to a double-stranded DNA tag that ends in a single-stranded 3′ overhang. To validate hits on the chip without re-synthesizing them off-DNA, a 5′-phosphorylated adapter — complementary to the chip surface oligos — is ligated onto that overhang. A short splint oligo bridges the tag and the adapter so the junction sits in register, and T4 DNA Ligase joins the tag's 3′-OH to the adapter's 5′-phosphate. The product is a full-length construct — compound + dsDNA tag + ssDNA adapter — ready for direct DDI on an Oligo|Oligo sensor and per-zone kinetic measurement of the original on-DNA compound. No purification is needed between ligation and injection.
Before you start
- Read Safety & Compliance and the safety data sheet for every reagent below. The SDS, not this page, governs how a reagent is handled, stored and disposed of.
- Use the personal protective equipment and the waste route your laboratory prescribes for these reagent classes.
- Check this protocol against the materials actually in hand: confirm the intended Seq ID, the product revision, the lot-specific certificate and the instructions supplied with it. Where those differ from this page, the documentation supplied with the material governs.
Strategy
The DEL tag carries the synthesis history of its compound, not the compound's structure. The conventional validation route re-synthesizes the hit off-DNA, which changes the chemistry, and a large share of hits do not reproduce once re-synthesized. By ligating an adapter onto the existing tag and measuring the on-DNA compound directly on a molographic chip, you read the affinity of the same chemical entity that was selected — no re-synthesis, no route change.
Ligation mechanism
Three oligos come together: the DEL compound's double-stranded tag with a single-stranded 3′ overhang, the 5′-phosphorylated adapter that carries the chip-surface complementary sequence, and the splint that bridges the junction. T4 DNA Ligase seals the phosphodiester bond at the nick, joining the tag's 3′-OH to the adapter's 5′-phosphate. Heating then releases the splint, and the construct is ready for direct DDI on an Oligo|Oligo chip.
Protocol
The reaction is run in a default final volume of 80 µL at an adapter : splint : tag molar ratio of 1 : 1.5 : 2. The volume is adjustable as long as every reagent is scaled together.
Materials
- T4 DNA Ligase, 30 U µL⁻¹ (e.g. Thermo Fisher EL0013)
- 10× T4 DNA Ligase buffer — supplies the ATP cofactor
- 50 % PEG solution — molecular-crowding accelerator
- Nuclease-free water (NFW)
- 5′-phospho adapter — provided by lino Biotech, complementary to the sensor chip
- Splint oligonucleotide — ordered by the customer
- DNA-tagged compound — the DEL hit, provided by the customer
- Thermal incubator and centrifuge
Step 1 — Combine and denature
Combine the 5′-phospho adapter, the splint, and the DNA-tagged compound at a 1 : 1.5 : 2 molar ratio — for example 1 nmol adapter, 1.5 nmol splint, and 2 nmol tagged compound from 100 µM stocks (10 µL, 15 µL, 20 µL). Spin down and hold at 70 °C for 5 min to melt secondary structure, then leave 30 min at room temperature to cool. Over the cool-down the splint hybridizes across the tag overhang and the adapter 5′ end, seating the nick in register.
Step 2 — Add the ligation mix and ligate
Add 8 µL of 10× T4 DNA Ligase buffer (1× final), 8 µL of 50 % PEG solution, and 1 µL of T4 DNA Ligase (30 U), then top up to 80 µL with nuclease-free water. Spin down and incubate at 37 °C for 2 h — or, alternatively, overnight at 22 °C. The 50 % PEG crowds the reaction and drives the bimolecular join to completion.
| Component | Amount (80 µL reaction) | Notes |
|---|---|---|
| 5′-phospho adapter | 1 nmol | Limiting reagent; sets the amount of product |
| Splint oligo | 1.5 nmol | Bridges the tag overhang and the adapter 5′ end |
| DNA-tagged compound | 2 nmol | The DEL hit, in excess over the adapter |
| 10× T4 DNA Ligase buffer | 8 µL | 1× final; supplies the ATP cofactor |
| 50 % PEG solution | 8 µL | Molecular crowding — accelerates ligation |
| T4 DNA Ligase | 1 µL (30 U) | 30 U µL⁻¹ stock, e.g. Thermo EL0013 |
| Nuclease-free water | to 80 µL | ≈18 µL when starting from 100 µM oligo stocks |
| Reaction | 37 °C, 2 h | Or 22 °C overnight |
Step 3 — Heat-inactivate the ligase and release the splint
Inactivate the ligase at 70 °C for 5 min. The same heat melts the splint off the ligated product. The construct is now compound + dsDNA tag + ssDNA adapter, with the splint free in solution; no purification is required and the mixture can be injected directly.
Step 4 — Inject onto the chip (DDI)
Dilute the ligation product to ≈ 200 nM in running buffer (PBS-T, pH 7.4) and load over the Oligo|Oligo sensor for 5 min at 20 µL min⁻¹. The single-stranded adapter portion hybridizes to its complementary surface oligo on the assigned ridge zone (DDI); free splint passes through without binding. Wash to baseline before starting the analyte injection cycle. To immobilize several compounds at once, combine multiple ligation mixtures — each on its own adapter sequence — and inject them together.
Reference protocol parameters
| Parameter | Reference value |
|---|---|
| Ligase | T4 DNA Ligase, 30 U µL⁻¹ — 1 µL (30 U) per 80 µL reaction |
| Buffer / accelerator | 1× T4 DNA Ligase buffer + 50 % PEG (8 µL each per 80 µL) |
| Adapter : splint : tag ratio | 1 : 1.5 : 2 (mol) |
| Denature / anneal | 70 °C, 5 min → 30 min at room temperature |
| Ligation | 37 °C, 2 h (or 22 °C overnight) |
| Heat-inactivation | 70 °C, 5 min |
| Ligation yield | ≈ 80 % of the adapter (≈ 10 % free adapter remaining) |
| Immobilization | ≈ 200 nM ligation mixture, 5 min at 20 µL min⁻¹ |
| Running buffer | PBS-T, pH 7.4 (PBS + 0.05 % Tween 20) |
| Regeneration | 3 M guanidine + 125 mM NaOH, 0.5 min at 400 µL min⁻¹ |
Chip immobilization (DDI)
The Oligo|Oligo sensor presents a sequence-specific capture oligo on each ridge zone and the backfilling capture oligo (Seq ID 00) on the grooves. The single-stranded adapter portion of the ligated construct hybridizes to its assigned ridge zone in seconds — no chemistry, no covalent step. Up to 64 zones can carry distinct compounds in parallel, one per adapter sequence. For chip-and-adapter selection in the broader workflow, see the interactive decision tree — the DEL / 5′-phosphate branch lands here.
QC and acceptance
The acceptance criterion for the ligation is the appearance of the full-length product; the reaction is expected to convert ≈ 80 % of the adapter.
- Product band. On denaturing PAGE the ligated construct runs above the starting adapter by the length of the tag. The criterion is a clear band at the expected shifted position; residual adapter at the original position is the unreacted fraction, which is expected to be around 10 %.
- Splint and ligase controls. Reactions without the splint and without ligase, run alongside, show that the shift comes from ligation rather than from a mobility artifact of the components.
The DEL tag is deliberately in excess, so unligated tag remains in the mixture by design; it carries no adapter and therefore does not hybridize to the chip, so it neither contributes signal nor competes for the surface. The species that matters on-chip is the ≈ 10 % of free adapter, which is tolerable at the immobilization dilution.
Practical notes
Troubleshooting
| Symptom | Likely cause | Fix |
|---|---|---|
| Low or no on-chip signal after DDI | Ligation incomplete — most adapter is still unligated, and only the adapter carries the chip-complementary sequence | Check the reaction by 15 % denaturing PAGE (urea); a clear shifted band confirms ligation. Re-run with a fresh buffer aliquot and ligase if little product formed. |
| Sensorgrams plateau at very low Rmax | Too little ligated product injected | Increase the injected concentration or extend the loading injection. Loading is sequence-specific, so excess construct does not wet the wrong zone. |
| Weak or scattered signal on the zone of a compound | Free adapter competing with the ligated construct for the same ridge strands, so part of the zone carries adapter without a compound | Keep to the 1 : 1.5 : 2 ratio so the adapter stays the limiting reagent; if background persists, add a brief desalting step to deplete short oligos before injection. |
| Ligation efficiency drifting down over weeks | ATP in the buffer degraded through freeze–thaw | Thaw a fresh 10× buffer aliquot and re-test. |