3RFC

Crystal structure of D-alanine-D-alanine ligase A from Xanthomonas oryzae pathovar oryzae with ADP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	D-alanine--D-alanine ligase 1	polymer	384	41757.5	1	UniProt (Q2P8P8)	Xanthomonas oryzae pv. oryzae	D-alanine-D-alanine ligase A, D-Ala-D-Ala ligase 1, D-alanylalanine synthetase 1
2	B (A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
3	C (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	D (A)	water	water		18.0	138	Chemie (HOH)

Sequence modifications

A: 1 - 367 (UniProt: Q2P8P8)

PDB	External Database	Details
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Val 327	Met 327	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41757.5
Non-Polymers*	Number of molecules	2
	Total formula weight	451.5
All*	Total formula weight	42209.0

*Water molecules are not included.