5GMA

Crystal structure of the P228A variant of Thermotoga maritima acetyl esterase

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	38636.9	6	UniProt (Q9WXT2) Pfam (PF05448)	Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)	Acetylxylan esterase
2	G, H, I (C, D, E)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
3	J, K, L, M, N... (A, B, C, D, E...)	water	water		18.0	757	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
Ala 228	Pro 228	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	231821.3
Non-Polymers*	Number of molecules	3
	Total formula weight	177.1
All*	Total formula weight	231998.4

*Water molecules are not included.