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. 2019 Nov 15;11(3):371–378. doi: 10.1021/acsmedchemlett.9b00445

Figure 7.

Figure 7

Structure of lead compound 17f in complex with LM/HT gp120CRF01_AE core (PDB code: 6P9N). (A) The 17f binding interface. LM/HT gp120CRF01_AE core residues contributing to 17f compound binding are shown as sticks. H-bonds are shown as blue dashes. (B) Comparison of bound conformations of 17f to other compounds. Structures were aligned based on gp120 and the electrostatic potential displayed over the gp120 molecular surface of the 17f-LM/HT gp120CRF01_AE core complex. Compounds are shown as sticks and H-bonds formed by 17f shown as blue dashes. Compound 17f is the only compound that establishes an H-bond with the main chain atoms of Gly472.