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 health problem

PANTS-56e67190cb4b

Human gut 223 aa · assembly ERZ4561292_FASTA_predicted_cds · contig ERZ4561292.30786-Hadza-MoBio-hadza-A-D-D-16-1621--NODE-30786-length-7063-cov-2.793730_2

Retrieval

E-value9.60e-08
Bitscore19.1
Identity to nearest0.329
Nearest characterisedEC:A0ABT4TFD0

Structure

Methodesmfold
Mean pLDDT93.2
RMSD to IsPETase9.03 Å
Aligned fraction0.147

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

Active site

TriadS107/D155/H187
Ser–His3.18 Å
His–Asp3.1 Å
Cleft width23.12 Å
Cleft depth4.42 Å

Aromatic clamp: PHE150, PHE185, PHE74, TRP114, TRP76, TYR111, TYR195, TYR32

Structure, superposed on IsPETase

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

Sequence

MKRIAVCATKEHLGYILYVPENFTEDTCMIIYLHGAGERGTNLDHVEAHAIPQMIHDGKEIDALVLCPQCPAEFVWNNVVRDVKKLIDDIAAEYKIKPDRISITGSSMGGYGTWEMGLTYPNFFSCIAPVSGGGMQWRCQKLINTPVLAFHGEKDDSVELINSKMMVEGVLHFGGEAKLVVLEGFGHNDGIDEAYNNRDLVSWLLSHRRTDFSRVKEVCEEMF