Magnesium in PDB 1rnj: Crystal Structure of Inactive Mutant Dutpase Complexed with Substrate Analogue Imido-Dutp

Enzymatic activity of Crystal Structure of Inactive Mutant Dutpase Complexed with Substrate Analogue Imido-Dutp

All present enzymatic activity of Crystal Structure of Inactive Mutant Dutpase Complexed with Substrate Analogue Imido-Dutp:
3.6.1.23;

Protein crystallography data

The structure of Crystal Structure of Inactive Mutant Dutpase Complexed with Substrate Analogue Imido-Dutp, PDB code: 1rnj was solved by O.Barabas, V.Pongracz, J.Kovari, M.Wilmanns, B.G.Vertessy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 1.70
*Space group*	P 6₃ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	74.900, 74.900, 99.643, 90.00, 90.00, 120.00
*R / R_free (%)*	15.7 / 18.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Inactive Mutant Dutpase Complexed with Substrate Analogue Imido-Dutp (pdb code 1rnj). 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 Inactive Mutant Dutpase Complexed with Substrate Analogue Imido-Dutp, PDB code: 1rnj:

Magnesium binding site 1 out of 1 in 1rnj

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Magnesium Binding Sites List in 1rnj

Magnesium binding site 1 out of 1 in the Crystal Structure of Inactive Mutant Dutpase Complexed with Substrate Analogue Imido-Dutp

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 Inactive Mutant Dutpase Complexed with Substrate Analogue Imido-Dutp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg999 b:19.3 occ:1.00	O	A:HOH1135	1.8	26.2	1.0
	O1B	A:DUP777	1.9	19.6	1.0
	O1A	A:DUP777	2.0	16.7	1.0
	O	A:HOH1110	2.1	16.6	1.0
	O2G	A:DUP777	2.1	19.5	1.0
	O	A:HOH1111	2.2	22.4	1.0
	PB	A:DUP777	3.0	18.7	1.0
	PG	A:DUP777	3.2	24.2	1.0
	PA	A:DUP777	3.2	16.1	1.0
	O3B	A:DUP777	3.4	19.6	1.0
	N3A	A:DUP777	3.5	15.1	1.0
	O	A:HOH1064	3.5	23.6	1.0
	O1G	A:DUP777	3.9	29.3	1.0
	O	A:HOH1218	4.0	60.6	1.0
	O2A	A:DUP777	4.2	17.6	1.0
	O	A:HOH1123	4.3	30.9	1.0
	O	A:HOH1026	4.4	25.1	1.0
	O2B	A:DUP777	4.4	18.6	1.0
	O5'	A:DUP777	4.4	14.8	1.0
	O3G	A:DUP777	4.4	22.6	1.0
	C5'	A:DUP777	4.5	12.2	1.0

Reference:

O.Barabas, V.Pongracz, J.Kovari, M.Wilmanns, B.G.Vertessy. Structural Insights Into the Catalytic Mechanism of Phosphate Ester Hydrolysis By Dutpase. J.Biol.Chem. V. 279 42907 2004.
ISSN: ISSN 0021-9258
PubMed: 15208312
DOI: 10.1074/JBC.M406135200

Page generated: Sun Aug 10 03:54:47 2025

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