4Z05

C. bescii Family 3 pectate lyase mutant E84A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Pectate lyase	polymer	204	22106.0	2	UniProt (B9MKT4) Pfam (PF03211) In PDB	Caldicellulosiruptor bescii (strain ATCC BAA-1888 / DSM 6725 / Z-1320)
2	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
3	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	6	Chemie (MPD)
5	A, B	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	3	Chemie (MRD)
6		water	water		18.0	491	Chemie (HOH)

Sequence modifications

A, B: 1 - 193 (UniProt: B9MKT4)

PDB	External Database	Details
Met -10	-	expression tag
Ala -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Val -2	-	expression tag
Gly -1	-	expression tag
Thr 0	-	expression tag
Ala 84	Glu 351	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	44211.9
Non-Polymers*	Number of molecules	14
	Total formula weight	1259.3
All*	Total formula weight	45471.3

*Water molecules are not included.