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-01bdff6d9403

Human gut 241 aa · assembly ERZ4560750_FASTA_predicted_cds · contig ERZ4560750.128373-Hadza-MoBio-hadza-E-H-E-23-1730--NODE-128373-length-1147-cov-8.256075_1

Retrieval

E-value1.00e-11
Bitscore32.2
Identity to nearest0.269
Nearest characterisedEC:A0A6I4WH26

Structure

Methodesmfold
Mean pLDDT90.7
RMSD to IsPETase12.19 Å
Aligned fraction0.170

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

Active site

TriadS138/D188/H220
Ser–His2.86 Å
His–Asp3.08 Å
Cleft width16.57 Å
Cleft depth4.39 Å

Aromatic clamp: PHE183, PHE79, TRP107, TRP145, TRP228, TYR59

Structure, superposed on IsPETase

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

Sequence

GTLDLCAPASRAEIAYWLNAYYPQETATQSTLTEGQYSSMGYLLYTPANAKADMPLIVYLHGGHGKGSDLSILTTTDGFPQYLADGTLGEIPAYVLIPQLSADQNGWKAADDTVMSLIDKICTENKIDRSRISLTGHSMGGTGTWDIALLHPEVFSRIAPMSGSIQTTAETLSALSDMPIWTFVGDADRVVKPESAEQFIAALQEQNTNAKLTVFADTDHVGVLQRAWMEDGAALIDWLIQ