2OAF

Crystal structure of thioesterase superfamily (YP_508616.1) from Jannaschia sp. CCS1 at 2.00 A resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Thioesterase superfamily	polymer	151	17062.0	2	UniProt (Q28UM1) Pfam (PF13279) In PDB	Jannaschia sp.
2	A, B	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
3	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	A	CITRIC ACID	non-polymer		192.1	2	Chemie (CIT)
5	B	TRIETHYLENE GLYCOL	non-polymer		150.2	3	Chemie (PGE)
6		water	water		18.0	208	Chemie (HOH)

Sequence modifications

A, B: 1 - 143 (UniProt: Q28UM1)

PDB	External Database	Details
Gly -7	-	SEE REMARK 999
Mse -6	-	SEE REMARK 999
Gln -5	-	SEE REMARK 999
Gly -4	-	SEE REMARK 999
Ala -3	-	SEE REMARK 999
Gly -2	-	SEE REMARK 999
Arg -1	-	SEE REMARK 999
Leu 0	-	SEE REMARK 999
Mse 1	Met 1	modified residue
Mse 70	Met 70	modified residue

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	34123.9
Non-Polymers*	Number of molecules	9
	Total formula weight	1155.1
All*	Total formula weight	35279.1

*Water molecules are not included.