TABLE 2.
dNTPs in the allosteric and catalytic sites in different SAMHD1c-dNTP/dNTP crystal structures
Atoms of nucleosides and amino acids within hydrogen bonding distance (less than 3.3 Å) are listed.
| dGTP/dATP | dGTP/dCTP | dGTP/dTTP | dGTP/dUTP | |
|---|---|---|---|---|
| Primary allosteric site | dGTP | dGTP | dGTP | dGTP |
| Secondary allosteric site | dATP | dGTP | dTTP | dUTP |
| O3′-N (Asn-119) | O3′-N (Asn-119) | O3′-N (Asn-119) | O3′-N (Asn-119) | |
| O3′-O (Val-156) | O3′-O (Val-156) | O3′-O (Val-156) | O3′-O (Val-156) | |
| O4′-NH1 (Arg-333) | O4′-NH1 (Arg-333) | O4′-NH1 (Arg-333) | O4′-NH1 (Arg-333) | |
| N6-OD1 (Asn-358) | O6-ND2 (Asn-358) | O4-ND2 (Asn-358) | O4-ND2 (Asn-358) | |
| N2-OD2 (Asp-330) | O2-ND2 (Asn-119) | |||
| Catalytic site | dGTP | dCTP | dTTP | dUTP |
| O3′-NE2 (Gln-149) | O3′-NE2 (Gln-149) | O3′-NE2 (Gln-149) | O3′-NE2 (Gln-149) | |
| N2′-O (Leu-150) | ||||
| O4′-NH2 (Arg-164) | O4′-NH2 (Arg-164) | O4′-NH2 (Arg-164) | O4′NH2 (Arg-164) | |
| N1-O (Tyr-374) | ||||
| O6-NE2 (Gln-375) | N4-QE1 (Gln-375) | O4-NE2 (Gln-375) | O4-NE2 (Gln-375) |