6Z81

TsaBD bound to the inhibitor

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)	tRNA N6-adenosine threonylcarbamoyltransferase	polymer	343	36879.2	2	UniProt (P05852) Pfam (PF00814)	Escherichia coli	YgjD,N6-L-threonylcarbamoyladenine synthase,t(6)A synthase,t(6)A37 threonylcarbamoyladenosine biosynthesis protein TsaD,tRNA threonylcarbamoyladenosine biosynthesis protein TsaD
2	C, D (C, D)	tRNA threonylcarbamoyladenosine biosynthesis protein TsaB	polymer	237	26033.6	2	UniProt (P76256) Pfam (PF00814)	Escherichia coli	YeaZ,t(6)A37 threonylcarbamoyladenosine biosynthesis protein TsaB
3	E, F, Q, R (A, B)	NICKEL (II) ION	non-polymer		58.7	4	Chemie (NI)
4	G, S (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	H, T (A, B)	(2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid	non-polymer		490.4	2	Chemie (QCB)
6	I, J, U, V (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
7	DA, K, Y (D, A, C)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
8	AA, BA, CA, FA, GA... (C, D, A, B)	ACETATE ION	non-polymer		59.0	9	Chemie (ACT)
9	N, O, X (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
10	EA, Z (D, C)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	2	Chemie (AMP)
11	HA, IA, JA, KA (A, B, C, D)	water	water		18.0	99	Chemie (HOH)

Sequence modifications

A, B: 1 - 337 (UniProt: P05852)

PDB	External Database	Details
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag
His 341	-	expression tag
His 342	-	expression tag
His 343	-	expression tag

C, D: 1 - 231 (UniProt: P76256)

PDB	External Database	Details
His 232	-	expression tag
His 233	-	expression tag
His 234	-	expression tag
His 235	-	expression tag
His 236	-	expression tag
His 237	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	125825.7
Non-Polymers*	Number of molecules	29
	Total formula weight	3343.7
All*	Total formula weight	129169.5

*Water molecules are not included.