Skip to main content

Table 8 Residues involved in hydrogen and Hydrophobic interactions in the WRKY-DNA variants

From: Molecular dynamics simulations revealed structural differences among WRKY domain-DNA interaction in barley (Hordeum vulgare)

WRKY variants

Pre-simulated docked complex

Post-simulated docked complex

 

Hydrogen bond

Hydrophobic interactions

Hydrogen bond

Hydrophobic interactions

Wild-type

Arg13-DA28 (2.9 Å),

Gln17-DG8 (2.8 Å)

Lys18-DT6 (2.9 Å,

Lys18-DT7 (2.9 Å),

Lys31-DG29 (2.7 Å),

Arg40-DG30 (2.9 Å,2.9 Å)

Val19, Pro26

Arg13-DA29 (3.0 Å),

Lys14-DA28(2.9 Å),

Gln17-DA8(2.8 Å)

Asn25, Arg45, Lys51

Variant I

Gly16-DG8 (2.8 Å),

Lys18-DT7 (2.8 Å),

Arg49-DG30 (2.7 Å),

Thr60-DA28 (2.9 Å)

Tyr15, Ser21, Tyr29, Arg31, Lys35, Pro41, Thr43, Met51, Ser52, Thr58, Tyr61

Lys18-DT6 (2.9 Å),

Ser21-DC4 (2.8 Å),

Arg27-DG29(2.9 Å),

Arg27-DG30(2.7 Å)

Leu20, Asn22, Tyr29

Variant II

Lys18-DT7 (2.8 Å),

Lys49-DG30 (2.7 Å)

Tyr15, Ser21, Tyr29, Arg31, Lys35, Pro41, Thr43, Met51, Ser52, Thr58, Tyr61

Ser21-DT7 (2.7 Å),

Ser23-DG29 (2.7 Å),

Asn24-DG30 (2.9 Å),

Arg31-DA9 (2.8 Å, 2.8 Å)

Tyr15, Lys18, Asn22, Arg27, Lys35, Lys49