5TPR

Desmethyl-4-deoxygadusol synthase from Anabaena variabilis (Ava_3858) with NAD+ and Zn2+ bound

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)	3-dehydroquinate synthase	polymer	444	50134.4	2	UniProt (Q3M6C3) Pfam (PF01761)	Anabaena variabilis (strain ATCC 29413 / PCC 7937)
2	C, J (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, F, G, L, M... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4	E, K (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
5	H, N (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
6	I, O (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
7	Q, R (A, B)	water	water		18.0	1294	Chemie (HOH)

Sequence modifications

A, B: 1 - 410 (UniProt: Q3M6C3)

PDB	External Database	Details
Met -33	-	initiating methionine
Arg -32	-	expression tag
Gly -31	-	expression tag
Ser -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
Gly -23	-	expression tag
Met -22	-	expression tag
Ala -21	-	expression tag
Ser -20	-	expression tag
Met -19	-	expression tag
Thr -18	-	expression tag
Gly -17	-	expression tag
Gly -16	-	expression tag
Gln -15	-	expression tag
Gln -14	-	expression tag
Met -13	-	expression tag
Gly -12	-	expression tag
Arg -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Tyr -8	-	expression tag
Asp -7	-	expression tag
Asp -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Lys -3	-	expression tag
Asp -2	-	expression tag
Leu -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	100268.9
Non-Polymers*	Number of molecules	14
	Total formula weight	2430.5
All*	Total formula weight	102699.3

*Water molecules are not included.