8U2Q

Crystal Structure of Glycine--tRNA ligase active site chimera from Mycobacterium thermoresistibile/tuberculosis (G5A bound)

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)	Glycine--tRNA ligase	polymer	479	54663.1	2	UniProt (G7CIG9) Pfam (PF00587) Pfam (PF03129)	Mycolicibacterium thermoresistibile ATCC 19527
2	C, G (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
3	D, I (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	E (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	F, J (A, B)	5'-O-(glycylsulfamoyl)adenosine	non-polymer		403.4	2	Chemie (G5A)
6	H (B)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
7	K, L (A, B)	water	water		18.0	107	Chemie (HOH)

Sequence modifications

A, B: 2 - 461 (UniProt: G7CIG9)

PDB	External Database	Details
Met -19	-	initiating methionine
Ala -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Met -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Leu -8	-	expression tag
Glu -7	-	expression tag
Ala -6	-	expression tag
Gln -5	-	expression tag
Thr -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Pro -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Tyr 99	His 97	engineered mutation
Ala 101	Gln 99	engineered mutation
Gly 119	Asp 117	engineered mutation
-	Val 118	deletion
-	Pro 119	deletion

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	109326.2
Non-Polymers*	Number of molecules	8
	Total formula weight	1051.1
All*	Total formula weight	110377.3

*Water molecules are not included.