4AZT

Co-crystal structure of WbdD and kinase inhibitor LY294002.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	METHYLTRANSFERASE WBDD	polymer	569	65063.0	1	UniProt (Q47592) Pfam (PF13847) Pfam (PF00069) In PDB	ESCHERICHIA COLI
2	A	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
3	A	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
4	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	A	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE	non-polymer		307.3	1	Chemie (LY2)
6		water	water		18.0	209	Chemie (HOH)

Sequence modifications

A: 2 - 556 (UniProt: Q47592)

PDB	External Database	Details
Met -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag
Gly 1	-	expression tag
Phe 168	Leu 168	conflict
Tyr 273	His 273	conflict
Val 440	Ala 440	conflict
Val 480	Gly 480	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	65063.0
Non-Polymers*	Number of molecules	12
	Total formula weight	1545.2
All*	Total formula weight	66608.2

*Water molecules are not included.