Table 2. Comparison of the contacts with ADP and ATP.
| Motif*/residues | ADP (Mg2+) | ATP (EDTA) |
|---|---|---|
| W13 | Adenine (vdW†) | Adenine (vdW) |
| V18 CG1 | Ribose (vdW) | Ribose (vdW) |
| Walker A | ||
| S38 OG | O2γ (H-bond‡) | |
| G39 N | O3β (H-bond) | O3β (H-bond) |
| N | O2γ (H-bond) | |
| C40 N | O1β (H-bond) | O1β (H-bond) |
| G41 N | O1β (H-bond) | O1β (H-bond) |
| K42 N | O1β (H-bond) | O1β (H-bond) |
| NZ | O3γ (H-bond) | |
| S43 N | O2β (H-bond) | O2β (H-bond) |
| OG | Mg2+ (salt bridge) | O2β (H-bond) |
| T44 N | O1α (H-bond) | O2α (H-bond) |
| OG1 | O1α (H-bond) | O2α (H-bond) |
| H192 NE2 | O3γ (H-bond) | |
| R129 NH2 | Ribose (vdW) | |
| K132 O | Adenine (vdW) | |
| A133 CB | Adenine (vdW) | |
| LSGGQ | ||
| S135 OG | O2γ (H-bond) | |
| G136 N | O1γ (H-bond) | |
| G137 N | O2γ (H-bond) | |
| Q138 OE1 | Ribose (vdW) | |
| NE2 | Ribose (vdW) |
*
The Walker A and LSGGQ motifs contacting one ATP molecule belong to the two opposite Malk monomers.
†
van der Waals (vdW) distance is ≤4 Å.
‡
Hydrogen bond (H-bond) distance is <3.4 Å.