2F98

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	Aklanonic Acid methyl Ester Cyclase, AknH	polymer	153	17951.1	4	GenBank (7800671) Pfam (PF07366) UniProt (by SIFTS) (O52646) In PDB	Streptomyces galilaeus
2	A, B, C, D	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
3	A, B, C, D	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE	non-polymer		378.3	4	Chemie (NGV)
4		water	water		18.0	245	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -8	-	cloning artifact
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	8
	Total formula weight	1897.6
All*	Total formula weight	73702.2

*Water molecules are not included.