7DB8

Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Phenylalanine--tRNA ligase alpha subunit	polymer	341	37415.3	1	UniProt (P9WFU3) Pfam (PF02912) Pfam (PF01409) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Phenylalanyl-tRNA synthetase alpha subunit,PheRS
2	B	Phenylalanine--tRNA ligase beta subunit	polymer	845	90179.8	1	UniProt (P9WFU1) Pfam (PF01588) Pfam (PF03483) Pfam (PF03484) Pfam (PF17759) Pfam (PF03147) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Phenylalanyl-tRNA synthetase beta subunit,PheRS
3	A, B	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
4	A	N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide	non-polymer		456.5	1	Chemie (H2R)
5		water	water		18.0	1026	Chemie (HOH)

Sequence modifications

B: 1 - 831 (UniProt: P9WFU1)

PDB	External Database	Details
Trp 832	-	expression tag
Lys 833	-	expression tag
Leu 834	-	expression tag
Ala 835	-	expression tag
Ala 836	-	expression tag
Ala 837	-	expression tag
Leu 838	-	expression tag
Glu 839	-	expression tag
His 840	-	expression tag
His 841	-	expression tag
His 842	-	expression tag
His 843	-	expression tag
His 844	-	expression tag
His 845	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	127595.1
Non-Polymers*	Number of molecules	14
	Total formula weight	1705.3
All*	Total formula weight	129300.3

*Water molecules are not included.