5TTH

Heterodimeric SpyCatcher/SpyTag-fused zebrafish TRAP1 in ATP/ADP-hybrid state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	C-terminal SpyCatcher fusion of wildtype zebrafish TNF receptor-associated protein 1	polymer	738	83827.7	1	UniProt (A8WFV1) UniProt (Q8G9G1) Pfam (PF13589) Pfam (PF00183) Pfam (PF02986) Pfam (PF17802)	Danio rerio (Zebrafish)	Trap1 protein
2	B (B)	C-terminal Spytag fusion of R417A zebrafish TNF receptor-associated protein 1	polymer	672	76439.7	1	UniProt (A8WFV1) UniProt (Q8G9G1) Pfam (PF13589) Pfam (PF00183)	Danio rerio (Zebrafish)	Trap1 protein
3	C, F (A, B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
4	D, G (A, B)	BERYLLIUM TRIFLUORIDE ION	non-polymer		66.0	2	Chemie (BEF)
5	E, H (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)

Sequence modifications

A: 73 - 719 (UniProt: A8WFV1)

PDB	External Database	Details
Gly 67	-	expression tag
Ile 68	-	expression tag
Asp 69	-	expression tag
Pro 70	-	expression tag
Phe 71	-	expression tag
Thr 72	-	expression tag
Gly 720	-	linker
Ser 721	-	linker

A: 722 - 804 (UniProt: Q8G9G1)

PDB	External Database	Details
Glu 734	Ile 473	engineered mutation
Tyr 769	Met 508	engineered mutation

B: 73 - 719 (UniProt: A8WFV1)

PDB	External Database	Details
Gly 67	-	expression tag
Ile 68	-	expression tag
Asp 69	-	expression tag
Pro 70	-	expression tag
Phe 71	-	expression tag
Thr 72	-	expression tag
Ala 417	Arg 417	engineered mutation
Gly 720	-	linker
Gly 721	-	linker
Ser 722	-	linker
Gly 723	-	linker
Ser 724	-	linker
Ser 725	-	linker

B: 726 - 738 (UniProt: Q8G9G1)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	160267.4
Non-Polymers*	Number of molecules	6
	Total formula weight	1035.0
All*	Total formula weight	161302.4

*Water molecules are not included.