4J6O

Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Metallophosphoesterase	polymer	264	29713.9	2	UniProt (A3DJ38) Pfam (PF00149)	Clostridium thermocellum
2	C, K, M (A, B)	CITRIC ACID	non-polymer		192.1	3	Chemie (CIT)
3	D (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
4	E, F, N (A, B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	3	Chemie (PG4)
5	G, H, I, O, P... (A, B)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
6	J, L (A, B)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
7	T, U (A, B)	water	water		18.0	353	Chemie (HOH)

Sequence modifications

A, B: 171 - 424 (UniProt: A3DJ38)

PDB	External Database	Details
Ser 169	-	expression tag
Met 170	-	expression tag
Leu 425	-	expression tag
Glu 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag
His 429	-	expression tag
His 430	-	expression tag
His 431	-	expression tag
His 432	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59427.8
Non-Polymers*	Number of molecules	17
	Total formula weight	2155.9
All*	Total formula weight	61583.6

*Water molecules are not included.