9TB0

Complex structure of AMPylated EF-Tu-T62A bound to SoFic-H198A

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)	Protein adenylyltransferase SoFic	polymer	392	44554.9	2	UniProt (Q8E9K5)	Shewanella oneidensis MR-1	AMPylator SoFic
2	C, D (C, D)	Elongation factor Tu 1	polymer	396	43473.6	2	UniProt (P0CE47)	Escherichia coli BL21(DE3)	EF-Tu 1,Bacteriophage Q beta RNA-directed RNA polymerase subunit III,P-43
3	E, F (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
4	G, I (C, D)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	2	Chemie (AMP) PubChem (6083)
5	H, J (C, D)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
6	K, L, M, N (A, B, C, D)	water	water		18.0	19	Chemie (HOH)

Sequence modifications

A, B: 1 - 372 (UniProt: Q8E9K5)

PDB	External Database	Details
Gly -19	-	expression tag
His -18	-	expression tag
Met -17	-	expression tag
Trp -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
Pro -13	-	expression tag
Gln -12	-	expression tag
Phe -11	-	expression tag
Glu -10	-	expression tag
Lys -9	-	expression tag
Gly -8	-	expression tag
Ala -7	-	expression tag
Asp -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Lys -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Ala 198	His 198	engineered mutation

C, D: 1 - 394 (UniProt: P0CE47)

PDB	External Database	Details
Gly -1	-	expression tag
His 0	-	expression tag
Val 1	Met 1	conflict
Ala 62	Thr 62	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	176056.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1629.5
All*	Total formula weight	177686.3

*Water molecules are not included.