4DC3

Adenosine kinase from Schistosoma mansoni in complex with 2-fluoroadenosine

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)	Adenosine kinase	polymer	372	41572.6	2	UniProt (G4V7G8)	Schistosoma mansoni (Blood fluke)
2	C (A)	ADENOSINE	non-polymer		267.2	1	Chemie (ADN)
3	D, F (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	E (B)	2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL	non-polymer		285.2	1	Chemie (2FA)
5	G, H (A, B)	water	water		18.0	244	Chemie (HOH)

Sequence modifications

A, B: 1 - 352 (UniProt: G4V7G8)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Thr 2	His 2	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83145.1
Non-Polymers*	Number of molecules	4
	Total formula weight	623.4
All*	Total formula weight	83768.5

*Water molecules are not included.