9FXI

Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase in complex with SEN177

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	Glutaminyl-peptide cyclotransferase	polymer	341	38894.8	3	UniProt (Q16769) Pfam (PF04389) In PDB	Homo sapiens (human)	Glutaminyl cyclase,QC,sQC,Glutaminyl-tRNA cyclotransferase,Glutamyl cyclase,EC
2	A, B, C	COBALT (II) ION	non-polymer		58.9	3	Chemie (CO)
3	A, B, C	2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine	non-polymer		338.4	3	Chemie (S77)
4	A, C	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
5		water	water		18.0	278	Chemie (HOH)

Sequence modifications

A, B, C: 32 - 361 (UniProt: Q16769)

PDB	External Database	Details
Met 21	-	initiating methionine
Arg 22	-	expression tag
Gly 23	-	expression tag
Ser 24	-	expression tag
His 25	-	expression tag
His 26	-	expression tag
His 27	-	expression tag
His 28	-	expression tag
His 29	-	expression tag
His 30	-	expression tag
Gly 31	-	expression tag
Glu 115	Tyr 115	engineered mutation
Glu 117	Tyr 117	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	116684.4
Non-Polymers*	Number of molecules	9
	Total formula weight	1480.1
All*	Total formula weight	118164.5

*Water molecules are not included.