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-f27b6be35620

Human gut 413 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.71918-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-71918-length-2309-cov-2.867384_2

Retrieval

E-value9.40e-11
Bitscore29.0
Identity to nearest0.285
Nearest characterisedEC:A0A6I4WH26

Structure

Methodesmfold
Mean pLDDT91.0
RMSD to IsPETase23.29 Å
Aligned fraction0.238

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

Active site

TriadS310/D360/H392
Ser–His2.86 Å
His–Asp3.12 Å
Cleft width16.37 Å
Cleft depth4.34 Å

Aromatic clamp: PHE251, PHE355, TRP279, TRP317, TRP400, TYR231

Structure, superposed on IsPETase

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

Sequence

MKIKFPHLLLASSLLVSSLNVSAAAASFTDVEPFAWYYDAVENVTENGWLNGTGGSCFTPNGDLTRAMLATILWRIEGSPAPNGSADFIDTDSASWYADGLAWSVENGLFNGYPDGSFRPANAITREQLAAVFYRTAEDKTDIGVGAISTKNGCLWASEACAWANTHGLFPYALGTLDLCAPASRAEIAYWLNAYYPQETQSTLTEGQYRSMGYLLYTPANAQADMPLIVYLHGGHGKGSDLSILMTTDGFPQYLADGTLGEIPAYVLIPQLPADQNGWKAADDTVMSLIDKICTENKIDRSRISLTGHSMGGTGTWDIALLHPEVFSRIAPMSGSIQTTAETLSALSDMPIRTFVGDADRVVKPESTEQFIAALQEQNANAKLTVFADTDHVGVLQTAWLEDGAALIDWLIQ