Calcium in PDB 2fwn: Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation

Enzymatic activity of Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation

All present enzymatic activity of Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation:
4.1.1.7;

Protein crystallography data

The structure of Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation, PDB code: 2fwn was solved by A.K.Bera, M.S.Hasson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	50.00 / 1.40
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	81.165, 95.039, 137.363, 90.00, 90.00, 90.00
*R / R_free (%)*	10.8 / n/a

Other elements in 2fwn:

The structure of Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation (pdb code 2fwn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation, PDB code: 2fwn:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 2fwn

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Calcium Binding Sites List in 2fwn

Calcium binding site 1 out of 3 in the Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca532 b:7.8 occ:1.00	O12	A:TDP530	2.3	7.3	1.0
	OD1	A:ASN455	2.3	9.2	1.0
	O	A:THR457	2.3	9.4	1.0
	O	A:HOH1099	2.3	9.0	1.0
	OD1	A:ASP428	2.3	9.0	1.0
	O21	A:TDP530	2.4	8.0	1.0
	CG	A:ASN455	3.3	10.1	1.0
	P1	A:TDP530	3.5	7.2	1.0
	CG	A:ASP428	3.5	9.0	1.0
	C	A:THR457	3.5	8.0	1.0
	P2	A:TDP530	3.5	7.9	1.0
	O11	A:TDP530	3.6	7.0	1.0
	ND2	A:ASN455	3.8	15.3	1.0
	OD2	A:ASP428	4.0	11.8	1.0
	N	A:THR457	4.0	8.0	1.0
	N	A:ASP428	4.1	6.7	1.0
	O5G	A:TDP530	4.2	7.0	1.0
	N	A:GLY459	4.2	7.6	1.0
	O	A:MET453	4.3	8.4	1.0
	N	A:GLY429	4.3	6.7	1.0
	O22	A:TDP530	4.3	8.1	1.0
	N	A:ASN455	4.3	8.9	1.0
	CA	A:THR457	4.4	8.3	1.0
	O	A:HOH571	4.5	8.8	1.0
	N	A:TYR458	4.5	8.2	1.0
	CB	A:ASN455	4.6	11.8	1.0
	O13	A:TDP530	4.7	7.6	1.0
	N	A:GLY456	4.7	9.7	1.0
	CB	A:ASP428	4.7	7.2	1.0
	CA	A:TYR458	4.7	6.3	1.0
	O23	A:TDP530	4.7	9.1	1.0
	CG2	A:THR457	4.7	10.7	1.0
	CA	A:ASN455	4.7	9.6	1.0
	C	A:ASN455	4.8	10.4	1.0
	CA	A:GLY427	4.8	6.9	1.0
	CA	A:ASP428	4.8	7.0	1.0
	C	A:GLY427	4.9	6.2	1.0

Calcium binding site 2 out of 3 in 2fwn

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Calcium Binding Sites List in 2fwn

Calcium binding site 2 out of 3 in the Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca533 b:11.9 occ:0.64	OD1	A:ASP364	2.4	14.3	1.0
	O	A:HOH971	2.5	13.0	1.0
	O	A:HOH1233	2.5	29.1	1.0
	O	A:HOH1122	2.6	28.5	1.0
	O	A:HOH814	2.9	32.7	1.0
	CG	A:ASP364	3.4	13.8	1.0
	O	A:HOH845	3.5	25.4	1.0
	OD2	A:ASP364	3.8	15.9	1.0
	O	A:HOH1134	4.5	37.5	1.0
	O	A:ASP360	4.5	10.2	1.0
	O	A:HOH1083	4.6	30.1	1.0
	O	A:HOH1109	4.6	48.9	1.0
	ND2	A:ASN363	4.7	12.6	1.0
	CB	A:ASP364	4.7	12.3	1.0
	O	A:HOH574	4.8	11.6	1.0
	O	A:HOH832	4.9	29.9	1.0
	CA	A:ASP364	5.0	12.1	1.0

Calcium binding site 3 out of 3 in 2fwn

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Calcium Binding Sites List in 2fwn

Calcium binding site 3 out of 3 in the Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Phosphorylation of An Active Site Serine in A Thdp- Dependent Enzyme By Phosphonate Inactivation within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca534 b:9.5 occ:0.57	O	A:HOH1229	2.2	29.7	1.0
	O	A:ALA416	2.3	8.6	1.0
	O	A:HOH1230	2.5	20.8	1.0
	O	A:HOH1231	2.5	15.5	1.0
	O	A:HOH734	2.5	18.1	1.0
	O	A:HOH1110	2.6	25.2	1.0
	C	A:ALA416	3.4	7.9	1.0
	CA	A:ALA416	4.0	8.7	1.0
	O	A:HOH975	4.2	32.3	1.0
	CD	A:PRO418	4.5	10.1	1.0
	N	A:GLU417	4.5	8.0	1.0
	O	A:HOH729	4.7	19.5	1.0
	CB	A:ALA416	4.7	10.5	1.0
	OG	A:SER61	4.8	6.7	0.6
	O	A:LEU415	4.8	8.7	1.0
	O	A:HOH960	4.9	27.9	1.0
	CA	A:GLU417	4.9	8.6	1.0

Reference:

A.K.Bera, L.S.Polovnikova, J.Roestamadji, T.S.Widlanski, G.L.Kenyon, M.J.Mcleish, M.S.Hasson. Mechanism-Based Inactivation of Benzoylformate Decarboxylase, A Thiamin Diphosphate-Dependent Enzyme J.Am.Chem.Soc. V. 129 4120 2007.
ISSN: ISSN 0002-7863
PubMed: 17367138
DOI: 10.1021/JA068636Z

Page generated: Tue Jul 8 05:38:35 2025

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