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. Author manuscript; available in PMC: 2010 Apr 21.
Published in final edited form as: Biochemistry. 2009 Apr 21;48(15):3398–3406. doi: 10.1021/bi802230y

Table 1.

The crystal structures used in MD simulations.

Protein Data Bank Code Description
1MS3 Empty TcTS
2AH2 TcTS covalent intermediate
1MS1 DANA-bound TcTS
1S0I Sialyl-lactose-bound TcTS
1N1S Empty TrSA
2A75 TrSA covalent intermediate
1N1T DANA-bound TrSA