3OTI

Crystal Structure of CalG3, Calicheamicin Glycostyltransferase, TDP and calicheamicin T0 bound form

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	CalG3	polymer	398	43012.8	2	UniProt (Q8KND7) Pfam (PF21036) Pfam (PF06722)	Micromonospora echinospora (Micromonospora purpurea)
2	C, F (A, B)	THYMIDINE-5'-DIPHOSPHATE	non-polymer		402.2	2	Chemie (TYD)
3	D, G (A, B)	Calicheamicin T0	non-polymer		584.7	2	Chemie (C0T)
4	E, H (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	I, J (A, B)	water	water		18.0	941	Chemie (HOH)

Sequence modifications

A, B: 2 - 376 (UniProt: Q8KND7)

PDB	External Database	Details
Gly -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
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
His -7	-	expression tag
Ile -6	-	expression tag
Glu -5	-	expression tag
Gly -4	-	expression tag
Arg -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Arg 0	-	expression tag
Val 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	86025.6
Non-Polymers*	Number of molecules	6
	Total formula weight	2044.6
All*	Total formula weight	88070.3

*Water molecules are not included.