Table 1 Summary of spectroscopically identified hydrogen bonds.

From: Spectroscopic glimpses of the transition state of ATP hydrolysis trapped in a bacterial DnaB helicase

H-Bond

δ(1HN) > 9 ppma

Correlation peak visible in hPHb

Δδ(HN)/ΔT > −4.6 ppb/Kc

d(N–O) < 3.5 Åd

S206

Yes (9.4 ppm)

Yes Pβ (ADP)

n.d.

Yes (S213)

K209

Yes (11.0 ppm)

Yes Pβ (ADP)e

Yes (0.0 ppb/K)

Yes (K216)

T210

Yes (9.7 ppm)

Yes Pβ (ADP)

Yes (−0.9 ppb/K)

Yes (T210)

S211

No (7.7 ppm)

Yes S211 Pα/Pβ (ADP), weak

n.d.

Yes (A218)

D371

No (8.1 ppm)

Yes P1/P2 (DNA), weak

n.d.

No (D379)

K373

No (8.5 ppm)

Yes P1/P2 (DNA)e, weak

n.d.

Yes (R381e)

D374

Yes (10.1 ppm)

Yes P1 (DNA)

Yes (0.0 ppb/K)

Yes (E382)

S375

No (7.2 ppm)

Yes P1 (DNA), weak

n.d.

No (S383)

G376

Yes (9.3 ppm)

Yes P2 (DNA)

Yes (−0.7 ppb/K)

Yes (G384)

  1. aChemical-shift values taken from ref. 44.
  2. bhPH spectra provide information about the phosphorous in close proximity to the protein proton.
  3. cMissing data (n.d. not determined) can be mostly accounted to overlap in the 2D hNH spectra.
  4. dBased on the BstDnaB:DNA crystal structure PDB 4ESV, see also Supplementary Table 2.
  5. eBesides backbone, also sidechain correlations are detected.
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