2F99

Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity.

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)	Aklanonic Acid methyl Ester Cyclase, AknH	polymer	153	17951.1	4	GenBank (7800671) Pfam (PF07366) UniProt (by SIFTS) (O52646)	Streptomyces galilaeus
2	E, F, H, I, J... (A, B, C, D)	SULFATE ION	non-polymer		96.1	11	Chemie (SO4)
3	G, K, O, S (A, B, C, D)	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	non-polymer		414.4	4	Chemie (AKV)
4	T, U, V, W (A, B, C, D)	water	water		18.0	459	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 144 (GenBank: 7800671)

PDB	External Database	Details
Met -8	-	initiating methionine
Ala -7	-	cloning artifact
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Arg 1	-	cloning artifact

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	71804.6
Non-Polymers*	Number of molecules	15
	Total formula weight	2714.3
All*	Total formula weight	74518.9

*Water molecules are not included.