. Author manuscript; available in PMC: 2007 Jan 23.

Published in final edited form as: Acta Crystallogr D Biol Crystallogr. 2005 Nov 19;61(Pt 12):1568–1578. doi: 10.1107/S0907444905029616

Table 3.

Potential hydrogen bonds at the B₁ subsite and C-terminal regions of hAng, mAng and bAng

hAng ^a		mAng ^b		bAng ^c
bond	length ( Å )	bond	length ( Å )	bond	length ( Å )
His13 N^δ1–Thr44 O	2.9	His13 N^δ1–Thr44 O	2.7, 2.7	His14 N^δ1–Thr45 O	2.8
Thr44 N–Gln117 O^ε1	2.9	Thr44 N–Glu116 O^ε2	2.9, 2.8	Thr45 N–Glu118 O^ε2	2.9
Thr44 O^γ1–Thr80 O^γ1	2.8	Thr79 O^γ1–Thr44 O^γ1	2.8, 2.9	Wat154–Thr45 O^γ1	3.0
Gln117 N^ε2–Thr44 O^γ1	3.1	Thr44 O^γ1–Glu116 O^ε1	2.7, 2.7	Thr45 O^γ1–Glu118 O^ε1	2.7
Ser118 N–Asp116 O^δ1	3.1	Ser117 N–Asp115 O^δ1	3.0, 3.1	Ser119 N–Asp117 O^δ1	3.0
Ser118 O^γ–Asp116 O^δ1	2.5	Ser117 O^γ–Asp115 O^δ1	2.7, 2.7	Ser119 O^γ–Asp117 O^δ1	2.6
Phe120 N–Gln117 O	3.0	Phe119 N–Glu116 O	—, 3.3
Arg121 N–Ser118 O	3.1	Ser120 N–Ser117 O	—, 3.0

Potential hydrogen bonds were identified with HBPLUS (McDonald and Thornton 1994) using default criteria (D − H ⋯ A angle > 90°, H ⋯ A distance < 2.5 Å).

PDB entry 1B1I (Leonidas et al., 1999a).

Values listed in the order mAng·PO₄, mAng·SO₄.

PDB entry 1AGI (Acharya et al., 1995).