5NSF

Structure of AzuAla

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A, C, D	Tyrosine--tRNA ligase	polymer	318	36370.2	4	UniProt (Q57834) Pfam (PF00579) In PDB	Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440)	Tyrosyl-tRNA synthetase,TyrRS
2	B, A, C, D	(2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid	non-polymer		217.3	4	Chemie (96Z)
3	B, A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	B, A	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
5	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
6		water	water		18.0	215	Chemie (HOH)

Sequence modifications

B, A, C, D: 1 - 306 (UniProt: Q57834)

PDB	External Database	Details
Met -11	-	initiating methionine
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Gly 32	Tyr 32	conflict
Trp 65	Leu 65	conflict
Gly 70	His 70	conflict
His 108	Phe 108	conflict
Asn 109	Gln 109	conflict
Ala 158	Asp 158	conflict
Asn 162	Leu 162	conflict
Arg 286	Asp 286	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	145480.7
Non-Polymers*	Number of molecules	10
	Total formula weight	1367.7
All*	Total formula weight	146848.4

*Water molecules are not included.