Potassium in PDB 3rre: 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 Adp

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 Adp

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 Adp:
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 Adp, PDB code: 3rre 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)*	35.42 / 2.15
*Space group*	I 4 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	122.309, 122.309, 155.312, 90.00, 90.00, 90.00
*R / R_free (%)*	16.1 / 19.7

Other elements in 3rre:

Magnesium

(Mg)

1 atom

Potassium Binding Sites:

The binding sites of Potassium 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 Adp (pdb code 3rre). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium 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 Adp, PDB code: 3rre:

Potassium binding site 1 out of 1 in 3rre

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Potassium Binding Sites List in 3rre

Potassium 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 Adp

Mono view

Stereo pair view

A full contact list of Potassium with other atoms in the K 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 Adp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:K491 b:34.0 occ:1.00	O	A:VAL148	2.7	30.1	1.0
	O	A:PHE117	2.7	31.5	1.0
	OD1	A:ASN52	2.8	28.3	1.0
	O	A:ASP114	3.0	27.7	1.0
	O	A:VAL146	3.0	27.4	1.0
	OG	A:SER150	3.0	30.4	1.0
	OD2	A:ASP114	3.4	25.9	1.0
	OD1	A:ASP114	3.6	27.7	1.0
	CG	A:ASP114	3.6	28.8	1.0
	C	A:PHE117	3.6	32.5	1.0
	CG	A:ASN52	3.7	27.7	1.0
	N	A:SER150	3.8	30.1	1.0
	C	A:ASP114	3.8	28.4	1.0
	C	A:VAL148	3.9	30.8	1.0
	ND2	A:ASN52	4.0	27.6	1.0
	C	A:VAL146	4.0	26.6	1.0
	N	A:VAL146	4.0	27.0	1.0
	CA	A:ALA115	4.1	28.4	1.0
	N	A:ILE116	4.1	29.6	1.0
	N	A:PHE117	4.1	31.1	1.0
	CB	A:SER150	4.1	30.5	1.0
	CA	A:SER150	4.2	29.6	1.0
	N	A:ALA115	4.3	29.3	1.0
	C	A:PRO149	4.3	30.0	1.0
	C	A:ALA115	4.4	28.9	1.0
	N	A:GLY118	4.4	33.8	1.0
	CA	A:VAL146	4.4	26.3	1.0
	CA	A:PHE117	4.5	32.2	1.0
	CA	A:PRO149	4.5	29.8	1.0
	N	A:VAL148	4.5	30.2	1.0
	CB	A:VAL146	4.6	27.1	1.0
	CA	A:GLY118	4.6	34.0	1.0
	CB	A:ASP114	4.7	27.8	1.0
	N	A:PRO149	4.7	29.4	1.0
	CB	A:SER145	4.7	28.2	1.0
	C	A:SER145	4.8	26.7	1.0
	C	A:ILE116	4.9	30.9	1.0
	CA	A:VAL148	4.9	31.4	1.0
	CA	A:ASP114	4.9	28.5	1.0
	CA	A:SER145	4.9	27.3	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 12 09:21:28 2024

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