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. 2023 Dec 20;70(4):99–107. doi: 10.5458/jag.jag.JAG-2023_0003

Table 2. Interactions between LrhKduI and buffer components.

HEPES MES MOPS
Atoms Amino Acid Distance (Å) Atoms Amino Acid Distance (Å) Atoms Amino Acid Distance (Å)
Hydorogen bond (<3.4 Å) Hydorogen bond (<3.4 Å) Hydorogen bond (<3.4 Å)
O1S 194T N 3.2 O1S 163R NE 2.9 O2 184T OG1 3.1
O2S 184T OG1 3.1 O1S 163R NH2 2.7 O3 163R NE 3.3
O8 203R NH2 3.3 O2S 184T OG1 2.8
O3S 194T N 3.3
C-C contact (<4.4 Å) C-C contact (<4.4 Å) C-C contact (<4.4 Å)
C2 260W CE2 4.3 C2 205E CD 4.2 C1 258F CE2 4.2
C3 269Y CD2 4.1 C2 260W CD2 3.9 C1 258F CZ 3.7
C3 269Y CE2 3.5 C2 260W CE2 4.1 C3 260W CD1 4.0
C5 205E CD 3.5 C2 260W CE3 3.9 C3 260W CE2 4.0
C5 260W CD2 3.6 C2 260W CH2 4.2 C5 198H CE1 4.3
C5 260W CE2 4.0 C2 260W CZ2 4.2 C6 260W CD2 3.9
C5 260W CE3 3.8 C2 260W CZ3 4.0 C6 260W CE2 4.2
C5 260W CG 4.0 C2 262M CE 3.5 C6 260W CE3 3.6
C5 260W CZ3 4.2 C3 205E CD 4.0 C6 260W CH2 3.8
C5 262M CE 3.7 C3 260W CD1 4.2 C6 260W CZ2 4.2
C6 205E CD 4.1 C3 260W CD2 3.9 C6 260W CZ3 3.5
C6 260W CB 4.3 C3 260W CE2 4.1 C6 262M CE 3.8
C6 260W CD1 3.9 C3 260W CE3 4.3 C6 269T CE2 4.1
C6 260W CD2 3.9 C3 260W CG 4.0 C7 260W CD1 4.2
C6 260W CE2 4.1 C7 260W CD2 3.4
C6 260W CG 3.8 C7 260W CE2 3.6
C7 205E CD 4.0 C7 260W CE3 3.5
C7 262M CE 3.8 C7 260W CG 3.8
C8 262M CE 3.5 C7 260W CH2 4.1
C8 269Y CD2 3.7 C7 260W CZ2 4.0
C8 269Y CE2 3.9 C7 260W CZ3 3.9