Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
########     ###    ##    ## ########  ######  
##     ##   ## ##   ###   ##    ##    ##    ## 
##     ##  ##   ##  ####  ##    ##    ##       
########  ##     ## ## ## ##    ##     ######  
##        ######### ##  ####    ##          ## 
##        ##     ## ##   ###    ##    ##    ## 
##        ##     ## ##    ##    ##     ######

PETase ANnotation and Triage System

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

PANTS-a4997f37c1c1

Marine plastisphere 398 aa · assembly ERZ21854033_FASTA_predicted_cds · contig ERZ21854033.32196-NODE-32197-length-1222-cov-1.575835_1

Retrieval

E-value4.40e-20
Bitscore59.6
Identity to nearest0.297
Nearest characterisedEC:A0A239F412

Structure

Methodesmfold
Mean pLDDT79.0
RMSD to IsPETase13.58 Å
Aligned fraction0.245

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

Active site

TriadS227/D311/H342
Ser–His3.0 Å
His–Asp3.01 Å
Cleft width24.89 Å
Cleft depth2.5 Å

Aromatic clamp: PHE151, PHE183, PHE288, PHE290, PHE305, TRP250, TRP284, TRP291, TYR146, TYR177, TYR226, TYR231, TYR248, TYR316, TYR369

Structure, superposed on IsPETase

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

Sequence

MTNFNTSSAAGMALATAAVFTMSFGMTDSALAENRIDGQRPGSPEFAKYGDLPIGVRTITVANPNQINIAAIDGSKPKPDPLPRADRKLTLEIWYPAAAGATGSQVLKANLRDGKTEVELVGKARRDAPPAKAAQPYPLIIISHGYPGNRFLMSHLGENLASKGYVVASIDHQDSTYSDKGAFGSTLVNRPYDQLFVLNEMDRLSKEDGHPLNGLLDASNTGLIGYSMGGYGAVITAGGGVTDTSIAYPWGAPHGLLGAHKGGSEELKNLFDPRIKTAIAIAPWGMNFAFWSAETLKDVKIPMMFVAGSQDDVSGYEKGIRAIWAASSNVDRSLLTFDSANHNAAAPMPAPAEADKFDSELGFNLSDHYMDAVWDTVRMNNITQHFATVWLAKHLRND