6GFH

Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with neo-IP5 and ATP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Inositol-pentakisphosphate 2-kinase	polymer	470	52864.0	2	UniProt (A0A178UAB5) Pfam (PF06090) UniProt (by SIFTS) (Q93YN9) In PDB	Arabidopsis thaliana (thale cress)
2	A, B	neo-Inositol pentakisphosphate	non-polymer		580.1	2	Chemie (K7V)
3	A, B	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
4	A, B	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
5	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	A, B	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
7	B	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	1	Chemie (B3P)
8		water	water		18.0	112	Chemie (HOH)

Sequence modifications

A, B: 1 - 451 (UniProt: A0A178UAB5)

PDB	External Database	Details
Met -18	-	initiating methionine
Ala -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag
Met 185	Ile 185	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	105727.9
Non-Polymers*	Number of molecules	13
	Total formula weight	2846.7
All*	Total formula weight	108574.7

*Water molecules are not included.