7POC

An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles

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)	8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase	polymer	421	46585.1	4	UniProt (Q5SHZ8) Pfam (PF00155)	Thermus thermophilus	AONS/AKB ligase,7-keto-8-amino-pelargonic acid synthase,7-KAP synthase,KAPA synthase,8-amino-7-ketopelargonate synthase,Alpha-oxoamine synthase,Glycine acetyltransferase
2	E, F, G, H (A, B, C, D)	PYRIDOXAL-5'-PHOSPHATE	non-polymer		247.1	4	Chemie (PLP)
3	I, J, K, L (A, B, C, D)	water	water		18.0	49	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 396 (UniProt: Q5SHZ8)

PDB	External Database	Details
Met -24	-	initiating methionine
Ser -23	-	expression tag
Tyr -22	-	expression tag
Tyr -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Asp -14	-	expression tag
Tyr -13	-	expression tag
Asp -12	-	expression tag
Ile -11	-	expression tag
Pro -10	-	expression tag
Thr -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag
Met 1	-	expression tag
Gly 2	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	186340.6
Non-Polymers*	Number of molecules	4
	Total formula weight	988.6
All*	Total formula weight	187329.1

*Water molecules are not included.