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

Go back to

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

Go back to

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

Go back to

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

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy