3R5F

Crystal structure of D-alanine-D-alnine ligase from Xanthomonas oryzae pv. oryzae with ATP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	D-alanine--D-alanine ligase 1	polymer	384	41757.5	1	UniProt (Q2P8P8) Pfam (PF01820) Pfam (PF07478) UniProt (by SIFTS) (Q5H614) In PDB	Xanthomonas oryzae pv. oryzae	D-Ala-D-Ala ligase 1, D-alanylalanine synthetase 1
2	A	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4		water	water		18.0	125	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	531.5
All*	Total formula weight	42289.0

*Water molecules are not included.