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-3bed2d847a10

Marine plastisphere 439 aa · assembly ERZ21854028_FASTA_predicted_cds · contig ERZ21854028.843-NODE-843-length-12164-cov-41.629449_12

Retrieval

E-value8.40e-21
Bitscore62.0
Identity to nearest0.248
Nearest characterisedPLC:A0A078MGG8

Structure

Methodesmfold
Mean pLDDT81.7
RMSD to IsPETase11.96 Å
Aligned fraction0.302

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

Active site

TriadS203/D284/H315
Ser–His3.0 Å
His–Asp3.06 Å
Cleft width25.01 Å
Cleft depth1.58 Å

Aromatic clamp: PHE127, PHE159, PHE264, PHE336, TRP257, TRP297, TYR122, TYR153, TYR202, TYR207, TYR278, TYR289, TYR342

Structure, superposed on IsPETase

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

Sequence

MFSKPLAAENRIDGQSTDAPELAAYGPLSVGVRKFEFVNEGQVDILAIDPAASSGTPLPTYDRPMTVEMWYPAIDGAAGDTSLDAFIRDGVTQVELKGRGVRDAAPIDTSEPFPLIVMSHGYPGNRFLLSHLAENLASKGYVVASIDHADSTYRDQNQFASTLVNRPLDQLFVLDEMVRINSDPSSEFAGMIDTENAGLLGYSMGGYGAIITAGGGVTEAVVPFAPGGTLGIHQAGSDTHKALSDNLFKTAVTIGPWGRQVGAFDEDGLSGIDIPMLYIGGSNDTVSGYNTGIRPIWEETTGAVRSLLTFENGSHNTVAPIPAPAESFYFNDTLGFNVSEHYTDPVWDTVFMNNVGQHFTTAWFDSFLKGDTDKNAYLDLDPIGTGADWLGFAAGTSDGLRFETLSPDAVAPVPLPASAWLLGMACAGLGLARKGRRKA