. 2021 Nov 25;77(Pt 12):459–464. doi: 10.1107/S2053230X21011687

Table 2. Interactions of ATP-γS with MEK1(out) adopting the DFG-out conformation.

For the sake of comparison, the interactions of ATP-γS with MEK1(in) adopting the DFG-in conformation (PDB entry 3eqd; Fischmann et al., 2009 ▸) are also provided.

	MEK1(out)		MEK1(in)
ATP-γS atom	Atom	Distance (Å)	Atom	Distance (Å)
N1	Met146 N	3.2	Met146 N	3.1
N6	Glu144 O	2.8	Glu144 O	2.7
O2′	Ser150 O^γ	2.7	Ser150 O^γ	2.8
O3′	Ser194 O	2.6
O1^α	Lys97 N^ζ	2.8	Lys97 N^ζ	2.6
			Asp208 O^δ2	2.9
			Mg²⁺	2.5^†
O1^β	Gly210 N	2.8	Ser194 O^γ	3.0
			Mg²⁺	2.1^†
O3^β	Asn78 N	2.8
S1^γ ^‡	Gly79 N	3.3	Asn78 N	3.5
O2^γ	Lys97 N^ζ	2.6	Lys192 N^ζ	2.7
	Val211 N	3.0
O3^γ	Ser212 O^γ	2.7

^†

Coordination bond.

^‡

NH⋯S hydrogen bond (Krepps et al., 2001 ▸; Biswal & Wategaonkar, 2009 ▸).