Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
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PETase ANnotation and Triage System

Nature's solution to a human-made problem, and structural learnings from Nature

PANTS-3678bc760af9

Human gut 268 aa · assembly ERZ4239616_FASTA_predicted_cds · contig ERZ4239616.1136-NODE-1136-length-6893-cov-6.409915_3

Retrieval

E-value4.70e-09
Bitscore23.4
Identity to nearest0.246
Nearest characterisedHGMP04

Structure

Methodesmfold
Mean pLDDT92.8
RMSD to IsPETase14.48 Å
Aligned fraction0.181

Aligned fraction is a length-normalised gemmi superposition statistic, not a true TM-score.

Active site

TriadS164/D213/H245
Ser–His2.98 Å
His–Asp3.08 Å
Cleft width20.09 Å
Cleft depth3.39 Å

Aromatic clamp: PHE125, PHE208, PHE240, PHE252, PHE67, TRP113, TRP248, TYR112, TYR115, TYR171

Structure, superposed on IsPETase

Catalytic triad drawn as ball-and-stick from the measured residues.

Sequence

MVSIDMKKIVCIQILLWMSCLINVSAQDSYKEYEQKVYVSSQGDSLQYCLLRPEVEKPGEKYPLVLFLHGAGERGNDNRKQLKHGGQMWLNPVNRKKYPAFILLPQCPAENYWGYEMRPNSLEPFGMPDNPELTTTIRTLKSLLDTFLDMPQVDKLRVYIMGLSMGGMATYDMVIRYPEIFAAAVPICGTVNPVRIGKELREIKFRIFHGDTDSVVTPEGSREAYKALKAIDASVEYIEFVGCDHNSWNPAFNYPDFMNWLFNQKKEK