Magnesium in PDB 3rrf: Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Atp

Enzymatic activity of Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Atp

All present enzymatic activity of Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Atp:
4.2.1.93;

Protein crystallography data

The structure of Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Atp, PDB code: 3rrf was solved by I.A.Shumilin, M.Cymborowski, S.A.Lesley, W.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	50.00 / 2.10
*Space group*	I 4 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	122.407, 122.407, 155.672, 90.00, 90.00, 90.00
*R / R_free (%)*	15.9 / 20.2

Other elements in 3rrf:

Potassium

(K)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Atp (pdb code 3rrf). 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 TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Atp, PDB code: 3rrf:

Magnesium binding site 1 out of 1 in 3rrf

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Magnesium Binding Sites List in 3rrf

Magnesium binding site 1 out of 1 in the Crystal Structure of TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Atp

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 TM0922, A Fusion of A Domain of Unknown Function and Adp/Atp-Dependent Nad(P)H-Hydrate Dehydratase From Thermotoga Maritima in Complex with Atp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg492 b:44.4 occ:1.00	O1A	A:ATP494	2.1	50.6	1.0
	O	A:HOH552	2.3	35.4	1.0
	O2G	A:ATP494	2.3	86.9	1.0
	O	A:HOH532	2.4	32.5	1.0
	O	A:HOH558	2.4	33.5	1.0
	O1B	A:ATP494	2.5	70.8	1.0
	PA	A:ATP494	3.4	50.9	1.0
	PG	A:ATP494	3.6	84.5	1.0
	PB	A:ATP494	3.6	67.6	1.0
	O3B	A:ATP494	3.7	72.6	1.0
	O3A	A:ATP494	3.9	60.3	1.0
	NZ	A:LYS402	4.0	39.9	1.0
	OE2	A:GLU369	4.1	30.6	1.0
	OD1	A:ASP342	4.1	38.6	1.0
	CB	A:ALA343	4.3	28.6	1.0
	CD2	A:HIS366	4.4	28.2	1.0
	O5'	A:ATP494	4.4	46.4	1.0
	CA	A:GLY430	4.4	25.6	1.0
	OD2	A:ASP342	4.4	35.1	1.0
	O3G	A:ATP494	4.4	82.7	1.0
	O2A	A:ATP494	4.5	58.9	1.0
	OE1	A:GLU369	4.5	29.8	1.0
	O1G	A:ATP494	4.6	86.6	1.0
	CG	A:ASP342	4.7	34.8	1.0
	CA	A:ALA343	4.7	29.6	1.0
	OD1	A:ASP431	4.7	36.6	1.0
	CD	A:GLU369	4.7	28.8	1.0
	CE	A:LYS402	4.8	37.2	1.0
	C	A:GLY430	4.9	25.8	1.0
	O2B	A:ATP494	4.9	70.4	1.0
	O	A:HOH524	5.0	39.1	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: Mon Aug 11 02:48:52 2025

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