4QS6

CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID, NO METAL, 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 (A, B)	Ligw2 Decarboxylase	polymer	373	42455.3	2	UniProt (Q2GA79) Pfam (PF04909)	Novosphingobium aromaticivorans
2	C, G, H (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
3	D, E (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	F, I (A, B)	4-hydroxy-3-methoxy-5-nitrobenzoic acid	non-polymer		213.1	2	Chemie (1DF)
5	J, K (A, B)	water	water		18.0	755	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	84910.6
Non-Polymers*	Number of molecules	7
	Total formula weight	773.5
All*	Total formula weight	85684.1

*Water molecules are not included.