Distance
Atom1
Atom2
pH7
pH5
pH5X
GLU235 CD
NOV N
3.182±0.104
3.309±0.135
3.814±0.125
GLU235 CD
NOV C1
4.118±0.133
4.152±0.109
4.694±0.166
GLU235 CD
NOV C2
3.786±0.176
3.986±0.149
4.954±0.214
GLU235 CD
NOV C3
5.357±0.187
5.432±0.153
6.436±0.206
GLU235 CD
NOV C4
6.254±0.193
6.494±0.174
7.362±0.206
GLU235 CD
NOV C5
6.226±0.169
6.440±0.114
7.167±0.165
GLU235 CD
NOV C6
5.364±0.143
5.505±0.105
6.067±0.160
GLU340 CD
NOV N
5.430±0.197
6.152±0.248
5.461±0.240
GLU340 CD
NOV C1
4.486±0.174
5.478±0.258
4.388±0.241
GLU340 CD
NOV C2
3.947±0.114
4.768±0.209
4.095±0.154
GLU340 CD
NOV C3
3.691±0.144
4.837±0.305
4.092±0.200
GLU340 CD
NOV C4
5.119±0.151
6.301±0.327
5.412±0.211
GLU340 CD
NOV C5
5.760±0.166
7.021±0.318
5.626±0.320
GLU340 CD
NOV C6
5.516±0.185
6.697±0.298
5.211±0.354
Table 2: Interatomic distances of NOV and the active site residues at three different pH values (mean ± S.D. Å). The distances at pH 7 were measured to be smaller than at the lower pH values reflecting deeper insertion of the ligand in Figure 4A. See Figure 1F for the nomenclature of the constituent atoms of NOV.