6QGB

Crystal structure of Ideonella sakaiensis MHETase bound to benzoic acid

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...)	Mono(2-hydroxyethyl) terephthalate hydrolase	polymer	596	62844.1	6	UniProt (A0A0K8P8E7) Pfam (PF07519)	Ideonella sakaiensis	MHETase
2	BA, FA, G, N, T... (E, F, A, B, C...)	BENZOIC ACID	non-polymer		122.1	6	Chemie (BEZ)
3	CA, GA, H, O, U... (E, F, A, B, C...)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)
4	DA, HA, I, IA, J... (E, F, A, B, C...)	CHLORIDE ION	non-polymer		35.5	8	Chemie (CL)
5	AA, EA, JA, K, KA... (D, E, F, A, B...)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
6	M (B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
7	LA, MA, NA, OA, PA... (A, B, C, D, E...)	water	water		18.0	1984	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 20 - 603 (UniProt: A0A0K8P8E7)

PDB	External Database	Details
Met 8	-	initiating methionine
Asn 9	-	expression tag
His 10	-	expression tag
Lys 11	-	expression tag
Val 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
Met 19	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	377064.8
Non-Polymers*	Number of molecules	31
	Total formula weight	2335.6
All*	Total formula weight	379400.4

*Water molecules are not included.