2RHS

PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Phenylalanyl-tRNA synthetase alpha chain	polymer	294	33395.8	2	UniProt (Q4L5E3) Pfam (PF01409) In PDB	Staphylococcus haemolyticus	Phenylalanine--tRNA ligase alpha chain, PheRS
2	B, D	Phenylalanyl-tRNA synthetase beta chain	polymer	800	88753.9	2	UniProt (Q4L5E4) Pfam (PF01588) Pfam (PF03483) Pfam (PF03484) Pfam (PF17759) Pfam (PF03147) In PDB	Staphylococcus haemolyticus	Phenylalanine--tRNA ligase beta chain, PheRS
3	A, C	1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea	non-polymer		444.5	2	Chemie (GAX)
4	B, D	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	C	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6		water	water		18.0	946	Chemie (HOH)

Sequence modifications

A, C: 84 - 351 (UniProt: Q4L5E3)

PDB	External Database	Details
Met 58	-	expression tag
Gly 59	-	expression tag
Ser 60	-	expression tag
Ser 61	-	expression tag
His 62	-	expression tag
His 63	-	expression tag
His 64	-	expression tag
His 65	-	expression tag
His 66	-	expression tag
His 67	-	expression tag
Ser 68	-	expression tag
Ser 69	-	expression tag
Gly 70	-	expression tag
Leu 71	-	expression tag
Val 72	-	expression tag
Pro 73	-	expression tag
Arg 74	-	expression tag
Gly 75	-	expression tag
Ser 76	-	expression tag
His 77	-	expression tag
Met 78	-	expression tag
Gly 79	-	expression tag
Thr 80	-	expression tag
Glu 81	-	expression tag
Leu 82	-	expression tag
Met 83	-	expression tag

B, D: 1 - 800 (UniProt: Q4L5E4)

PDB	External Database	Details
Asn 34	Asp 34	engineered mutation
Pro 144	Gln 144	engineered mutation
Gly 661	Glu 661	engineered mutation
Ala 663	Gln 663	engineered mutation
Gly 664	Asp 664	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	244299.4
Non-Polymers*	Number of molecules	5
	Total formula weight	1146.6
All*	Total formula weight	245446.0

*Water molecules are not included.