3FS2

Crystal structure of 2-Dehydro-3-Deoxyphosphooctonate aldolase from Bruciella melitensis at 1.85A resolution

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)	2-dehydro-3-deoxyphosphooctonate aldolase	polymer	298	31853.5	2	UniProt (Q8YHF1) Pfam (PF00793)	Brucella melitensis	Phospho-2-dehydro-3-deoxyoctonate aldolase, 3-deoxy-D-manno-octulosonic acid 8-phosphate synthetase, KDO-8-phosphate synthetase, KDO 8-P synthase, KDOPS
2	C, F (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
3	D, E, G (A, B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	3	Chemie (PG4)
4	H, I (A, B)	water	water		18.0	313	Chemie (HOH)

Sequence modifications

A, B: 1 - 277 (UniProt: Q8YHF1)

PDB	External Database	Details
Met -20	-	expression tag
Ala -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Gly -11	-	expression tag
Thr -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Ala -7	-	expression tag
Gln -6	-	expression tag
Thr -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Phe 236	Leu 236	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	63707.1
Non-Polymers*	Number of molecules	5
	Total formula weight	772.6
All*	Total formula weight	64479.7

*Water molecules are not included.