7XRK

Diol dehydratase complexed with AdoMeCbl

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	60410.1	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, K (A, D)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	H, L (A, D)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
6	I, M (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)
7	J, N (B, E)	COBALAMIN	non-polymer		1330.4	2	Chemie (B12)
8	O, P, Q, R, S... (A, B, C, D, E...)	water	water		18.0	408	Chemie (HOH)

Sequence modifications

A, D: 1 - 554 (UniProt: Q59470)

PDB	External Database	Details
Asp 553	Ile 553	conflict

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	195487.4
Non-Polymers*	Number of molecules	8
	Total formula weight	3349.6
All*	Total formula weight	198837.0

*Water molecules are not included.