4R42

Crystal structure of KatB, a manganese catalase from Anabaena PCC7120

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	Alr3090 protein	polymer	236	26474.6	3	UniProt (Q8YSJ5) Pfam (PF05067) In PDB	Nostoc sp. PCC 7120
2	A, B, C	MANGANESE (II) ION	non-polymer		54.9	6	Chemie (MN)
3	A, B, C	CALCIUM ION	non-polymer		40.1	5	Chemie (CA)
4	A, C	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
5	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
6	B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
7	C	HEXAETHYLENE GLYCOL	non-polymer		282.3	1	Chemie (P6G)
8		water	water		18.0	386	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 230 (UniProt: Q8YSJ5)

PDB	External Database	Details
Val 2	Phe 2	engineered mutation
His 231	-	expression tag
His 232	-	expression tag
His 233	-	expression tag
His 234	-	expression tag
His 235	-	expression tag
His 236	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	79423.7
Non-Polymers*	Number of molecules	16
	Total formula weight	1413.0
All*	Total formula weight	80836.8

*Water molecules are not included.