4QS5

CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND MANGANESE AND 3-methoxy-4-hydroxy-5-nitrobenzoic acid, THE D314N MUTANT

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Ligw2 Decarboxylase	polymer	373	42455.3	4	UniProt (Q2GA79) Pfam (PF04909)	Novosphingobium aromaticivorans
2	E, J, O, T (A, B, C, D)	MANGANESE (II) ION	non-polymer		54.9	4	Chemie (MN)
3	F, K, P, U (A, B, C, D)	4-hydroxy-3-methoxy-5-nitrobenzoic acid	non-polymer		213.1	4	Chemie (1DF)
4	G, L, M, Q, R... (A, B, C, D)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
5	H, N (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	I, S (A, C)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
7	AA, BA, Y, Z (C, D, A, B)	water	water		18.0	1155	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 351 (UniProt: Q2GA79)

PDB	External Database	Details
Met -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag
Asn 314	Asp 314	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	169821.2
Non-Polymers*	Number of molecules	20
	Total formula weight	1998.1
All*	Total formula weight	171819.2

*Water molecules are not included.