4QRO

CRYSTAL STRUCTURE of DIHYDROXYBENZOIC ACID DECARBBOXYLASE BPRO_2061 (TARGET EFI-500288) FROM POLAROMONAS SP. JS666 WITH BOUND MANGANESE AND AN INHIBITOR, 2-NITRORESORCINOL

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, E... (A, B, C, D, E...)	Gamma-resorcylate decarboxylase	polymer	348	40209.3	8	UniProt (Q12BV1) Pfam (PF04909)	Polaromonas
2	DA, I, J, LA, N... (F, A, H, B, C)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
3	EA, HA, K, MA, O... (F, G, A, H, B...)	MANGANESE (II) ION	non-polymer		54.9	8	Chemie (MN)
4	AA, BA, FA, IA, L... (E, F, G, A, H...)	ACETATE ION	non-polymer		59.0	11	Chemie (ACT)
5	CA, GA, JA, M, PA... (E, F, G, A, H...)	2-nitrobenzene-1,3-diol	non-polymer		155.1	8	Chemie (38L)
6	KA (G)	BICARBONATE ION	non-polymer		61.0	1	Chemie (BCT)
7	QA, RA, SA, TA, UA... (A, B, C, D, E...)	water	water		18.0	2241	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 326 (UniProt: Q12BV1)

PDB	External Database	Details
Ala 327	-	expression tag
Glu 328	-	expression tag
Asn 329	-	expression tag
Leu 330	-	expression tag
Tyr 331	-	expression tag
Phe 332	-	expression tag
Gln 333	-	expression tag
Ser 334	-	expression tag
His 335	-	expression tag
His 336	-	expression tag
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag
Trp 341	-	expression tag
Ser 342	-	expression tag
His 343	-	expression tag
Pro 344	-	expression tag
Gln 345	-	expression tag
Phe 346	-	expression tag
Glu 347	-	expression tag
Lys 348	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	321674.2
Non-Polymers*	Number of molecules	34
	Total formula weight	2943.4
All*	Total formula weight	324617.6

*Water molecules are not included.