4HWT

Crystal structure of human Threonyl-tRNA synthetase bound to a novel 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	Threonine--tRNA ligase, cytoplasmic	polymer	413	48476.1	2	UniProt (P26639) Pfam (PF00587) Pfam (PF03129) In PDB	Homo sapiens (human)	Threonyl-tRNA synthetase, ThrRS
2	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A, B	N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide	non-polymer		374.4	2	Chemie (1B2)
4		water	water		18.0	345	Chemie (HOH)

Sequence modifications

A, B: 354 - 756 (UniProt: P26639)

PDB	External Database	Details
Met 352	-	EXPRESSION TAG
Ala 353	-	EXPRESSION TAG
Leu 757	-	EXPRESSION TAG
Glu 758	-	EXPRESSION TAG
His 759	-	EXPRESSION TAG
His 760	-	EXPRESSION TAG
His 761	-	EXPRESSION TAG
His 762	-	EXPRESSION TAG
His 763	-	EXPRESSION TAG
His 764	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96952.2
Non-Polymers*	Number of molecules	4
	Total formula weight	879.6
All*	Total formula weight	97831.8

*Water molecules are not included.