4QRN

HIGH-RESOLUTION CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE AND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID

Replaces:  4ING

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)	5-Carboxyvanillate Decarboxylase	polymer	373	42456.3	4	UniProt (Q2GA79) Pfam (PF04909)	Novosphingobium aromaticivorans
2	E, M, Q, W (A, B, C, D)	MANGANESE (II) ION	non-polymer		54.9	4	Chemie (MN)
3	F, N, R, X (A, B, C, D)	4-hydroxy-3-methoxy-5-nitrobenzoic acid	non-polymer		213.1	4	Chemie (1DF)
4	G, H, O, S, T... (A, B, C, D)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
5	AA, I, J, K, P... (D, A, B, C)	CHLORIDE ION	non-polymer		35.5	8	Chemie (CL)
6	L (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
7	BA, CA, DA, EA (A, B, C, D)	water	water		18.0	2005	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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	169825.1
Non-Polymers*	Number of molecules	23
	Total formula weight	1967.6
All*	Total formula weight	171792.7

*Water molecules are not included.