Fig. 7: XChem compound 2-x0406 has two adjacent binding sites. | Communications Biology

Fig. 7: XChem compound 2-x0406 has two adjacent binding sites.

From: Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase

Fig. 7

a The A subunit from the AC dimer in the 1.77 Å crystal structure of hSR with 2-x0406 (pdb code: 7NBH) contains two compounds. The compounds donate hydrogen bonds (dotted red-lines) to the main chain carboxyl of Ser 84 or to the side-chain of Asp 238. b The BD dimer with similar orientation as (a). Two molecules of compound 2-x0406 are also bound to the B and D subunits. c Superposition on the AC dimer of 2-x0406 (7NBH) of four other XChem compounds (sticks, labelled) from 7NBD, 7NBF, 7NBG, and 7NBC (C-subunit superposed on A). Note the C-subunit has no 2-x0406 or 1-x0495 bound. d, e Compound 9 (green carbons) from Dixon et al. (2006)46 has been docked into the electron density corresponding to two adjacent molecules of compound 2-x0406 (yellow and orange carbons).

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