4E8Y

Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor

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)	D-beta-D-heptose 7-phosphate kinase	polymer	352	38369.7	2	UniProt (B4EB35) Pfam (PF00294)	Burkholderia cenocepacia
2	C, G (A, B)	{[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid	non-polymer		453.5	2	Chemie (IHA)
3	D (A)	7-O-phosphono-D-glycero-beta-D-manno-heptopyranose	non-polymer		290.2	1	Chemie (M7B)
4	E, I (A, B)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
5	F, J (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	H (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
7	K, L (A, B)	water	water		18.0	296	Chemie (HOH)

Sequence modifications

A, B: 1 - 316 (UniProt: B4EB35)

PDB	External Database	Details
Met -35	-	expression tag
Ser -34	-	expression tag
Tyr -33	-	expression tag
Tyr -32	-	expression tag
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
Leu -25	-	expression tag
Glu -24	-	expression tag
Ser -23	-	expression tag
Thr -22	-	expression tag
Ser -21	-	expression tag
Leu -20	-	expression tag
Tyr -19	-	expression tag
Lys -18	-	expression tag
Lys -17	-	expression tag
Ala -16	-	expression tag
Gly -15	-	expression tag
Leu -14	-	expression tag
Asp -13	-	expression tag
Tyr -12	-	expression tag
Asp -11	-	expression tag
Ile -10	-	expression tag
Pro -9	-	expression tag
Thr -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76739.5
Non-Polymers*	Number of molecules	8
	Total formula weight	1441.2
All*	Total formula weight	78180.7

*Water molecules are not included.