9UWC

Crystal structure of Pictet-Spenglerase AsKslB and the compound AsKslB with iminium ion intermediate

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cucumopine synthase C-terminal helical bundle domain-containing protein	polymer	339	38407.2	1	UniProt (A0A1V2Q5F0)	Actinosynnema sp. ALI-1.44
2	B (A)	(2~{Z})-2-[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]iminopentanedioic acid	non-polymer		332.3	1	Chemie (A1EQG)
3	C (A)	water	water		18.0	133	Chemie (HOH)

Sequence modifications

A: 1 - 319 (UniProt: A0A1V2Q5F0)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38407.2
Non-Polymers*	Number of molecules	1
	Total formula weight	332.3
All*	Total formula weight	38739.5

*Water molecules are not included.