8T1R

Crystal structure of human CPSF73 catalytic segment in complex with compound 2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cleavage and polyadenylation specificity factor subunit 3	polymer	479	54474.3	1	UniProt (Q9UKF6) Pfam (PF00753) Pfam (PF10996) Pfam (PF07521)	Homo sapiens (human)	Cleavage and polyadenylation specificity factor 73 kDa subunit,CPSF 73 kDa subunit,mRNA 3'-end-processing endonuclease CPSF-73
2	B (A)	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide	non-polymer		404.2	1	Chemie (XZC)
3	C, D (A)	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
4	E (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	F, G (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	H (A)	water	water		18.0	88	Chemie (HOH)

Sequence modifications

A: 1 - 459 (UniProt: Q9UKF6)

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	54474.3
Non-Polymers*	Number of molecules	6
	Total formula weight	682.9
All*	Total formula weight	55157.2

*Water molecules are not included.