Magnesium in PDB 4aqk: Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase in Complex with Adp and IP6

Enzymatic activity of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase in Complex with Adp and IP6

All present enzymatic activity of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase in Complex with Adp and IP6:
2.7.1.158;

Protein crystallography data

The structure of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase in Complex with Adp and IP6, PDB code: 4aqk was solved by J.I Banos-Sanz, J.Sanz-Aparicio, B.Gonzalez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	60.90 / 2.40
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	62.110, 65.660, 121.790, 90.00, 90.00, 90.00
*R / R_free (%)*	24.392 / 29.215

Other elements in 4aqk:

The structure of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase in Complex with Adp and IP6 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase in Complex with Adp and IP6 (pdb code 4aqk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase in Complex with Adp and IP6, PDB code: 4aqk:

Magnesium binding site 1 out of 1 in 4aqk

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Magnesium Binding Sites List in 4aqk

Magnesium binding site 1 out of 1 in the Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase in Complex with Adp and IP6

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase in Complex with Adp and IP6 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg800 b:36.3 occ:1.00	OD1	A:ASP407	2.7	25.6	1.0
	OG	A:SER409	2.8	24.0	1.0
	O42	A:I6P500	3.0	28.3	1.0
	O3B	A:ADP600	3.1	38.0	1.0
	O2B	A:ADP600	3.5	39.0	1.0
	O32	A:I6P500	3.5	27.8	1.0
	CB	A:SER409	3.5	23.7	1.0
	CG	A:ASP407	3.7	25.9	1.0
	PB	A:ADP600	3.7	38.6	1.0
	P2	A:I6P500	3.8	28.1	1.0
	O43	A:I6P500	3.8	21.8	1.0
	OD2	A:ASP407	3.9	26.6	1.0
	OD2	A:ASP368	3.9	20.8	1.0
	O23	A:I6P500	4.1	21.7	1.0
	CB	A:ALA21	4.1	21.8	1.0
	NZ	A:LYS411	4.2	20.1	1.0
	NH2	A:ARG40	4.3	27.5	1.0
	P3	A:I6P500	4.4	22.3	1.0
	O13	A:I6P500	4.5	20.6	1.0
	O1B	A:ADP600	4.5	38.7	1.0
	N	A:ALA21	4.8	21.9	1.0
	O12	A:I6P500	4.8	23.5	1.0
	CA	A:SER409	4.9	23.5	1.0
	OD1	A:ASN22	4.9	21.3	1.0
	N	A:SER409	4.9	23.9	1.0
	O22	A:I6P500	5.0	28.7	1.0

Reference:

J.I.Banos-Sanz, J.Sanz-Aparicio, C.A.Brearley, B.Gonzalez. Expression, Purification, Crystallization and Preliminary X- Ray Diffraction Analysis of the Apo Form of INSP5 2-K From Arabidopsis Thaliana. Acta Crystallogr.,Sect.F V. 68 701 2012.
ISSN: ISSN 1744-3091
PubMed: 22684075
DOI: 10.1107/S1744309112017307

Page generated: Thu Aug 15 14:39:43 2024

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