Magnesium in PDB 4aov: Dpidh-Nadp. the Complex Structures of Isocitrate Dehydrogenase From Clostridium Thermocellum and Desulfotalea Psychrophila, Support A New Active Site Locking Mechanism

Enzymatic activity of Dpidh-Nadp. the Complex Structures of Isocitrate Dehydrogenase From Clostridium Thermocellum and Desulfotalea Psychrophila, Support A New Active Site Locking Mechanism

All present enzymatic activity of Dpidh-Nadp. the Complex Structures of Isocitrate Dehydrogenase From Clostridium Thermocellum and Desulfotalea Psychrophila, Support A New Active Site Locking Mechanism:
1.1.1.42;

Protein crystallography data

The structure of Dpidh-Nadp. the Complex Structures of Isocitrate Dehydrogenase From Clostridium Thermocellum and Desulfotalea Psychrophila, Support A New Active Site Locking Mechanism, PDB code: 4aov was solved by H.-K.S.Leiros, A.-E.Fedoy, I.Leiros, I.H.Steen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 1.93
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	61.640, 98.910, 71.890, 90.00, 103.94, 90.00
*R / R_free (%)*	17.5 / 22.5

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Dpidh-Nadp. the Complex Structures of Isocitrate Dehydrogenase From Clostridium Thermocellum and Desulfotalea Psychrophila, Support A New Active Site Locking Mechanism (pdb code 4aov). 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 Dpidh-Nadp. the Complex Structures of Isocitrate Dehydrogenase From Clostridium Thermocellum and Desulfotalea Psychrophila, Support A New Active Site Locking Mechanism, PDB code: 4aov:

Magnesium binding site 1 out of 1 in 4aov

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Magnesium Binding Sites List in 4aov

Magnesium binding site 1 out of 1 in the Dpidh-Nadp. the Complex Structures of Isocitrate Dehydrogenase From Clostridium Thermocellum and Desulfotalea Psychrophila, Support A New Active Site Locking Mechanism

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Dpidh-Nadp. the Complex Structures of Isocitrate Dehydrogenase From Clostridium Thermocellum and Desulfotalea Psychrophila, Support A New Active Site Locking Mechanism within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg1405 b:6.0 occ:1.00	O7	A:ICT1404	2.0	11.9	1.0
	O	A:HOH2067	2.0	15.9	1.0
	O	A:HOH2177	2.0	10.5	1.0
	OD1	A:ASP272	2.1	11.5	1.0
	O1	A:ICT1404	2.1	11.5	1.0
	C1	A:ICT1404	2.9	13.3	1.0
	C2	A:ICT1404	3.0	12.3	1.0
	CG	A:ASP272	3.2	11.2	1.0
	OD2	A:ASP272	3.8	10.4	1.0
	O	A:ALA304	4.0	16.0	1.0
	O2	A:ICT1404	4.1	12.3	1.0
	O	A:ASP272	4.1	10.7	1.0
	OD1	A:ASP276	4.2	12.9	1.0
	O	A:HOH2178	4.2	12.0	1.0
	NH1	A:ARG108	4.2	10.0	1.0
	C6	A:ICT1404	4.2	13.5	1.0
	C5N	A:NAP1403	4.2	12.3	0.1
	C3	A:ICT1404	4.2	14.0	1.0
	C4N	A:NAP1403	4.3	11.8	0.1
	CB	A:ASP272	4.4	9.8	1.0
	O6	A:ICT1404	4.4	14.1	1.0
	O5	A:ICT1404	4.4	12.3	1.0
	CG	A:ASP276	4.5	13.0	1.0
	OD2	A:ASP276	4.5	11.9	1.0
	CA	A:ASP272	4.5	10.9	1.0
	C	A:ASP272	4.6	9.8	1.0
	NH1	A:ARG131	4.7	12.1	1.0
	C4	A:ICT1404	5.0	12.6	1.0

Reference:

H.-K.S.Leiros, A.-E.Fedoy, I.Leiros, I.H.Steen. The Complex Structures of Isocitrate Dehydrogenase From Clostridium Thermocellum and Desulfotalea Psychrophila Suggest A New Active Site Locking Mechanism Febs Open Bio. V. 2 159 2012.
ISSN: ESSN 2211-5463
PubMed: 23650595
DOI: 10.1016/J.FOB.2012.06.003

Page generated: Mon Aug 11 05:45:43 2025

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