6BI4

2.9 Angstrom Resolution Crystal Structure of dTDP-Glucose 4,6-dehydratase (rfbB) from Bacillus anthracis str. Ames in Complex with NAD.

Replaces:  4EGB

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)	dTDP-glucose 4,6-dehydratase	polymer	346	39929.0	4	UniProt (Q81TP0) Pfam (PF16363) UniProt (by SIFTS) (A0A6L7HMN5)	Bacillus anthracis str. Ames
2	E, F (E, F)	beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900003)		sucrose
3	G, L (A, B)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
4	H, M, R, V (A, B, C, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
5	I, J, K, N, O... (A, B, C, D)	SULFATE ION	non-polymer		96.1	14	Chemie (SO4)
6	AA, BA, CA, DA (A, B, C, D)	water	water		18.0	76	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 322 (UniProt: Q81TP0)

PDB	External Database	Details
Mse -23	-	initiating methionine
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag
Mse 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	159716.0
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	20
	Total formula weight	4116.0
All*	Total formula weight	164516.5

*Water molecules are not included.