Magnesium in PDB 3rqx: Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis in Complex with P1,P4-Di(Adenosine-5') Tetraphosphate

Enzymatic activity of Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis in Complex with P1,P4-Di(Adenosine-5') Tetraphosphate

All present enzymatic activity of Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis in Complex with P1,P4-Di(Adenosine-5') Tetraphosphate:
4.2.1.93;

Protein crystallography data

The structure of Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis in Complex with P1,P4-Di(Adenosine-5') Tetraphosphate, PDB code: 3rqx was solved by I.A.Shumilin, M.Cymborowski, A.Joachimiak, W.Minor, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	50.00 / 1.60
*Space group*	I 4 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	91.585, 91.585, 168.890, 90.00, 90.00, 90.00
*R / R_free (%)*	14.5 / 15.2

Other elements in 3rqx:

The structure of Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis in Complex with P1,P4-Di(Adenosine-5') Tetraphosphate also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis in Complex with P1,P4-Di(Adenosine-5') Tetraphosphate (pdb code 3rqx). 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 Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis in Complex with P1,P4-Di(Adenosine-5') Tetraphosphate, PDB code: 3rqx:

Magnesium binding site 1 out of 1 in 3rqx

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Magnesium Binding Sites List in 3rqx

Magnesium binding site 1 out of 1 in the Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis in Complex with P1,P4-Di(Adenosine-5') Tetraphosphate

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Bacillus Subtilis in Complex with P1,P4-Di(Adenosine-5') Tetraphosphate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg277 b:18.3 occ:1.00	O	A:HOH317	2.0	16.5	1.0
	O2B	A:B4P278	2.0	18.3	1.0
	O	A:HOH353	2.1	21.7	1.0
	O2A	A:B4P278	2.1	16.8	1.0
	O	A:HOH327	2.1	17.1	1.0
	O	A:HOH323	2.2	20.3	1.0
	PA	A:B4P278	3.2	18.3	1.0
	PB	A:B4P278	3.2	17.6	1.0
	O3A	A:B4P278	3.6	19.7	1.0
	NZ	A:LYS186	3.7	18.6	1.0
	O1A	A:B4P278	3.8	18.7	1.0
	OD1	A:ASP128	4.0	16.6	1.0
	OE2	A:GLU152	4.0	18.4	1.0
	O	A:HOH299	4.1	23.9	1.0
	OE1	A:GLU152	4.1	18.1	1.0
	O3G	A:B4P278	4.2	20.8	1.0
	O1B	A:B4P278	4.2	17.0	1.0
	OD2	A:ASP128	4.3	16.5	1.0
	O3B	A:B4P278	4.4	19.6	1.0
	CD	A:GLU152	4.4	17.5	1.0
	O5E	A:B4P278	4.5	16.6	1.0
	O5F	A:B4P278	4.5	24.8	1.0
	CG	A:ASP128	4.5	15.2	1.0
	OD1	A:ASP216	4.6	16.3	1.0
	CA	A:GLY215	4.7	14.0	1.0
	O1G	A:B4P278	4.7	22.1	1.0
	PG	A:B4P278	4.8	20.7	1.0
	O	A:HOH356	4.8	26.1	1.0
	CB	A:ALA129	4.9	16.2	1.0
	C	A:GLY215	4.9	14.6	1.0
	CE	A:LYS186	4.9	20.2	1.0

Reference:

I.A.Shumilin, M.Cymborowski, O.Chertihin, K.N.Jha, J.C.Herr, S.A.Lesley, A.Joachimiak, W.Minor. Identification of Unknown Protein Function Using Metabolite Cocktail Screening. Structure V. 20 1715 2012.
ISSN: ISSN 0969-2126
PubMed: 22940582
DOI: 10.1016/J.STR.2012.07.016

Page generated: Thu Aug 15 10:34:44 2024

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