5JIB

Crystal structure of the Thermotoga maritima acetyl esterase (TM0077) complex with a substrate analog

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, E... (A, B, C, D, E...)	Cephalosporin-C deacetylase	polymer	337	38662.9	6	UniProt (Q9WXT2) Pfam (PF05448)	Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)	Acetylxylan esterase
2	G, H, I, J, K... (A, B, C, D, E...)	[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid	non-polymer		191.2	6	Chemie (OIA)
3	M, N, O, P, Q... (A, B, C, D, E...)	water	water		18.0	1039	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 325 (UniProt: Q9WXT2)

PDB	External Database	Details
Met -11	-	initiating methionine
Gly -10	-	expression tag
Ser -9	-	expression tag
Asp -8	-	expression tag
Lys -7	-	expression tag
Ile -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

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	231977.5
Non-Polymers*	Number of molecules	6
	Total formula weight	1147.1
All*	Total formula weight	233124.6

*Water molecules are not included.