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| enzyme | Zn(II) | Zn(II)-binding residues | inhibitor | |
|---|---|---|---|---|
| model A | amber99sb-ildn | amber99sb-ildn | amber99sb-ildn | GAFF2/AM1-BCC |
| model B | amber99sb-ildn | OUR | OUR | GAFF2/AM1-BCC |
| model C | amber99sb-ildn | OUR | OUR | GAFF2/OUR |
