3WMS

The crystal structure of Y195I mutant alpha-cyclodextrin glycosyltransferase from Paenibacillus macerans

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Alpha-cyclodextrin glucanotransferase	polymer	726	78302.4	1	UniProt (S5ZJ19) Pfam (PF00128) Pfam (PF01833) Pfam (PF00686) UniProt (by SIFTS) (P04830)	Paenibacillus macerans	alpha-Cyclodextrin Glycosyltransferase, Cyclodextrin-glycosyltransferase, CGTase
2	B, C (A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	D (A)	water	water		18.0	270	Chemie (HOH)

Sequence modifications

A: 32 - 718 (UniProt: S5ZJ19)

PDB	External Database	Details
Met 1	-	expression tag
Lys 2	-	expression tag
Tyr 3	-	expression tag
Leu 4	-	expression tag
Leu 5	-	expression tag
Pro 6	-	expression tag
Thr 7	-	expression tag
Ala 8	-	expression tag
Ala 9	-	expression tag
Ala 10	-	expression tag
Gly 11	-	expression tag
Leu 12	-	expression tag
Leu 13	-	expression tag
Leu 14	-	expression tag
Leu 15	-	expression tag
Ala 16	-	expression tag
Ala 17	-	expression tag
Gln 18	-	expression tag
Pro 19	-	expression tag
Ala 20	-	expression tag
Met 21	-	expression tag
Ala 22	-	expression tag
Met 23	-	expression tag
Asp 24	-	expression tag
Ile 25	-	expression tag
Gly 26	-	expression tag
Ile 27	-	expression tag
Asn 28	-	expression tag
Ser 29	-	expression tag
Asp 30	-	expression tag
Pro 31	-	expression tag
Ile 226	Tyr 195	engineered mutation
Leu 719	-	expression tag
Glu 720	-	expression tag
His 721	-	expression tag
His 722	-	expression tag
His 723	-	expression tag
His 724	-	expression tag
His 725	-	expression tag
His 726	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	78302.4
Non-Polymers*	Number of molecules	2
	Total formula weight	80.2
All*	Total formula weight	78382.5

*Water molecules are not included.