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2-Methylimidazole (2MI).
| Chain ID, B factor (Å2), occupancy | BSA (Å2) | Hydrogen bonds, ΔG (kcal mol−1) | |
|---|---|---|---|
| Binding sites inside the structure | |||
| Site 3 (directly bound to Zn2+) | B, 16.3, 1.00 | 25.5 | 4, −14.9 |
| Site 4 (Gly92, His94, Val121, Phe131, Leu198, Thr199, Thr200, Pro201, Pro202) | C, 22.1, 1.00 | 164.8 | 1, −0.5 |
