One lineage, side by side
Every structure here was aligned onto IsPETase 6EQE when it was written, so these panels are already in register: rotating one rotates all of them, and the same view means the same orientation in every panel. The catalytic triad is drawn in yellow and substituted residues in pink, using the residues the geometry stage measured rather than positions inferred from an alignment.
The question this asks, which the catalogue cannot: do stabilising mutations keep clear of the catalytic machinery, or do some crowd it? Every substituted residue carries its side-chain distance to the nearest triad side chain, measured once from these coordinates. The wild types group asks a different question with the same machinery: those are natural enzymes from unrelated organisms that nobody has engineered, so what varies between them is what evolution did rather than what a protein engineer did.
Structures with no assigned lineage · 145–156 of 534
PAZy:151
crystal structure 7QJP, 1.56 Å · cleft 14.7 Å
PAZy:152
ESMFold prediction, pLDDT 94 · cleft 17.1 Å
PAZy:153
crystal structure 7QJQ, 1.64 Å · cleft 23.3 Å
PAZy:154
ESMFold prediction, pLDDT 92 · cleft 12.4 Å
PAZy:16
crystal structure 4EB0, 1.5 Å · cleft 24.2 Å
PAZy:165-nonPET
AlphaFold model · cleft 23.7 Å
PAZy:17
AlphaFold model · cleft 17.0 Å
PAZy:170
ESMFold prediction, pLDDT 96 · cleft 23.5 Å
PAZy:171
ESMFold prediction, pLDDT 94 · cleft 17.0 Å
PAZy:172
ESMFold prediction, pLDDT 93 · cleft 17.0 Å
PAZy:173
ESMFold prediction, pLDDT 95 · cleft 16.7 Å
PAZy:174
ESMFold prediction, pLDDT 94 · cleft 18.1 Å
Distances are side chain to side chain, excluding backbone atoms. Measured any-atom to any-atom they came out at 1.31–1.35 Å for four variants, which is a peptide bond rather than a contact: those residues simply sit next to a triad residue in sequence. Where a substituted residue is adjacent in sequence it is marked, so a short distance that only reflects the fold's connectivity is visible as such. Panels built from predictions carry the loops that gate the cleft at lower confidence than the crystal structures beside them; a distance measured on one is weaker evidence than the same distance measured on the other.
Sequences one per panel above, in the same order
catalytic triad substitution against the lineage wild type · triad positions are labelled; hover any residue for its number. Click one to select it in its panel above, or click a residue in a panel to find it here.