Figure 1
Crystal features. (a) Experimental structure of pLAST-MAM protomer A in Cα representation superposed with the final (2mFobs − DFcalc)-type Fourier map contoured at 0.5σ above the threshold. The CD is in yellow with the zinc ion as a magenta sphere, the LNK is in purple and the MAM domain is in orange. (b) Crystal packing viewed down the x axis of the crystal in cross-eyed stereo. The CDs of protomers A (orange Cα trace) and B (green Cα trace), together with their symmetry mates (purple Cα traces), are in planes (1 and 2; pink background) that parallel the xy plane of the crystal. The two CDs are in a relative upside-down conformation, so their respective C-termini point either downwards (protomer A, orange arrow) or upwards (protomer B, green arrow). The MAM domains of protomer A and its symmetry mates occupy the space between the CD sections (yellow background). (c) Same as (b) but viewed down the crystal y axis, i.e. after a vertical 90° rotation. Note that each LNK interacts in extended conformation with a symmetric MAM domain to build up the crystal in the section with the yellow background between the CD planes. Further contacts are observed between symmetric MAM domains. (d) Stereoview down the y axis as in (c) showing four CD sections (1–4) as they occur in the crystal. No atoms are found in the space between sections 2 and 3 as the LNK and MAM domain of the B protomers (CD in green Cα trace) is disordered in the final model. (e) Same as (d) after superposing protomers A and B using their respective CDs. The LNK and MAM domain of protomer B and its symmetry mates (in purplish colours) would establish the crystal contacts required to build up the crystal in the space between sections 2 and 3. Thus, these moieties must be present in the crystal but are disordered. (f) Superposition in stereo of the MAM domain of pLAST-MAM predicted with AlphaFold and refined against experimental diffraction data (LNK in purple, MAM domain in orange) and the experimental MAM domain of human meprin β (chartreuse; PDB entry 4gwm; Arolas et al., 2012). |