4ME6

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	polymer	386	41945.8	1	UniProt (Q5H614) Pfam (PF01820) Pfam (PF07478)	Xanthomonas oryzae pv. oryzae	D-Ala-D-Ala ligase, D-alanylalanine synthetase
2	B (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	C (A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
4	D (A)	water	water		18.0	171	Chemie (HOH)

Sequence modifications

A: 22 - 367 (UniProt: Q5H614)

PDB	External Database	Details
Met -18	-	expression tag
Gly -17	-	expression tag
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
Met 1	-	SEE REMARK 999
Arg 2	-	SEE REMARK 999
Lys 3	-	SEE REMARK 999
Ile 4	-	SEE REMARK 999
Arg 5	-	SEE REMARK 999
Val 6	-	SEE REMARK 999
Gly 7	-	SEE REMARK 999
Leu 8	-	SEE REMARK 999
Ile 9	-	SEE REMARK 999
Phe 10	-	SEE REMARK 999
Gly 11	-	SEE REMARK 999
Gly 12	-	SEE REMARK 999
Lys 13	-	SEE REMARK 999
Ser 14	-	SEE REMARK 999
Ala 15	-	SEE REMARK 999
Glu 16	-	SEE REMARK 999
His 17	-	SEE REMARK 999
Glu 18	-	SEE REMARK 999
Val 19	-	SEE REMARK 999
Ser 20	-	SEE REMARK 999
Leu 21	-	SEE REMARK 999
Val 327	Met 307	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41945.8
Non-Polymers*	Number of molecules	2
	Total formula weight	451.5
All*	Total formula weight	42397.3

*Water molecules are not included.