20XT

Crystal structure of human ThrRS complexing with obafluorin derived inhibitor OB-D4

This is a non-PDB format compatible entry.

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, A)	Threonine--tRNA ligase 1, cytoplasmic	polymer	412	48405.0	2	UniProt (P26639) Pfam (PF00587) Pfam (PF03129)	Homo sapiens (human)	Threonine--tRNA ligase 1,Threonyl-tRNA synthetase,ThrRS,Threonyl-tRNA synthetase 1
2	C, E (C, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN) PubChem (32051)
3	D, F (C, A)	(2~{S},3~{R})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-4-(4-methoxyphenyl)-3-oxidanyl-butanoic acid	non-polymer		361.3	2	Chemie (A1E18)

Sequence modifications

C, A: 321 - 723 (UniProt: P26639)

PDB	External Database	Details
Met 320	-	initiating methionine
Leu 724	-	expression tag
Glu 725	-	expression tag
His 726	-	expression tag
His 727	-	expression tag
His 728	-	expression tag
His 729	-	expression tag
His 730	-	expression tag
His 731	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96810.0
Non-Polymers*	Number of molecules	4
	Total formula weight	853.5
All*	Total formula weight	97663.6

*Water molecules are not included.