6DHI

Butelase 1: Auto-Catalytic Cleavage as an Evolutionary Constraint for Macrocyclizing Endopeptidases

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Asparaginyl endopeptidase	polymer	473	52701.1	4	UniProt (A0A060D9Z7) Pfam (PF01650) Pfam (PF20985)	Clitoria ternatea (Butterfly pea)	Cte peptide ligase
2	E, F, G, H (A, B, C, D)	water	water		18.0	26	Chemie (HOH)

Sequence modifications

A, B, C, D: 21 - 446 (UniProt: A0A060D9Z7)

PDB	External Database	Details
Met 9	-	expression tag
Arg 10	-	expression tag
Gly 11	-	expression tag
Ser 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
Gly 19	-	expression tag
Ser 20	-	expression tag
Snn 164	Asp 164	conflict
Leu 447	-	expression tag
Cys 448	-	expression tag
Asn 449	-	expression tag
Ala 450	-	expression tag
Gly 451	-	expression tag
Ile 452	-	expression tag
Arg 453	-	expression tag
Lys 454	-	expression tag
Glu 455	-	expression tag
Gln 456	-	expression tag
Met 457	-	expression tag
Ala 458	-	expression tag
Glu 459	-	expression tag
Ala 460	-	expression tag
Ser 461	-	expression tag
Ala 462	-	expression tag
Gln 463	-	expression tag
Ala 464	-	expression tag
Cys 465	-	expression tag
Val 466	-	expression tag
Ser 467	-	expression tag
Ile 468	-	expression tag
Pro 469	-	expression tag
Asp 470	-	expression tag
Asn 471	-	expression tag
Pro 472	-	expression tag
Trp 473	-	expression tag
Ser 474	-	expression tag
Ser 475	-	expression tag
Leu 476	-	expression tag
His 477	-	expression tag
Ala 478	-	expression tag
Gly 479	-	expression tag
Phe 480	-	expression tag
Ser 481	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	210804.3
All*	Total formula weight	210804.3

*Water molecules are not included.