7XRL

Diol dehydratase complexed with AdoMeCbl and 1,2-propanediol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	Diol dehydrase alpha subunit	polymer	554	60408.1	2	UniProt (Q59470) Pfam (PF02286)	Klebsiella oxytoca	Propanediol dehydratase,Propanediol dehydratase large subunit
2	B, E (B, E)	Diol dehydrase beta subunit	polymer	200	21721.9	2	UniProt (Q59471) Pfam (PF02288)	Klebsiella oxytoca
3	C, F (C, F)	Diol dehydrase gamma subunit	polymer	137	15611.7	2	UniProt (Q59472) Pfam (PF02287)	Klebsiella oxytoca	Propanediol dehydratase,Propanediol dehydratase small subunit
4	G, M (A, D)	S-1,2-PROPANEDIOL	non-polymer		76.1	2	Chemie (PGO)
5	H, N (A, D)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	I, O (A, D)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
7	J, P (A, D)	AMMONIUM ION	non-polymer		18.0	2	Chemie (NH4)
8	K, Q (A, D)	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol	non-polymer		265.3	2	Chemie (FWK)
9	L, R (B, E)	COBALAMIN	non-polymer		1330.4	2	Chemie (B12)
10	S, T, U, V, W... (A, B, C, D, E...)	water	water		18.0	1569	Chemie (HOH)

Sequence modifications

B, E: 46 - 224 (UniProt: Q59471)

PDB	External Database	Details
Met 25	-	expression tag
Ser 26	-	expression tag
Ser 27	-	expression tag
His 28	-	expression tag
His 29	-	expression tag
His 30	-	expression tag
His 31	-	expression tag
His 32	-	expression tag
His 33	-	expression tag
Ser 34	-	expression tag
Ala 35	-	expression tag
Ala 36	-	expression tag
Leu 37	-	expression tag
Glu 38	-	expression tag
Val 39	-	expression tag
Leu 40	-	expression tag
Phe 41	-	expression tag
Gln 42	-	expression tag
Gly 43	-	expression tag
Pro 44	-	expression tag
Gly 45	-	expression tag

C, F: 38 - 173 (UniProt: Q59472)

PDB	External Database	Details
Met 37	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	195483.5
Non-Polymers*	Number of molecules	12
	Total formula weight	3537.9
All*	Total formula weight	199021.4

*Water molecules are not included.