6AID

Structural insights into the unique polylactate degrading mechanism of Thermobifida alba cutinase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Esterase	polymer	278	30377.8	1	UniProt (F7IX06) Pfam (PF12146) In PDB	Thermobifida alba
2	A	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
3	A	ethyl (2R)-2-oxidanylpropanoate	non-polymer		118.1	1	Chemie (9YL)
4	A	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	A	LACTIC ACID	non-polymer		90.1	1	Chemie (LAC)
6		water	water		18.0	222	Chemie (HOH)

Sequence modifications

A: 35 - 300 (UniProt: F7IX06)

PDB	External Database	Details
Met 23	-	initiating methionine
Arg 24	-	expression tag
Gly 25	-	expression tag
Ser 26	-	expression tag
His 27	-	expression tag
His 28	-	expression tag
His 29	-	expression tag
His 30	-	expression tag
His 31	-	expression tag
His 32	-	expression tag
Gly 33	-	expression tag
Ser 34	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30377.8
Non-Polymers*	Number of molecules	7
	Total formula weight	374.4
All*	Total formula weight	30752.3

*Water molecules are not included.