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) PubChem (312)
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) PubChem (17753775) PubChem (3367) PubChem (8975) PubChem (24208737) PubChem (25118825) PubChem (29919932) PubChem (40468020) PubChem (42553747) PubChem (44629914) PubChem (45039261) PubChem (36689671) PubChem (46705411) PubChem (46873958) PubChem (657237) PubChem (46936980) PubChem (53869019) PubChem (54669720) PubChem (58480775) PubChem (57007282) PubChem (68197667) PubChem (68197673) PubChem (73952290) PubChem (92209810) PubChem (10356567) PubChem (11978453) PubChem (13072931) PubChem (13072932) PubChem (171699513) PubChem (16129586)
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.