Chlorine in PDB 4lrs: Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site

Enzymatic activity of Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site

All present enzymatic activity of Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site:
1.2.1.10; 4.1.3.39;

Protein crystallography data

The structure of Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site, PDB code: 4lrs was solved by B.Fischer, G.Branlant, F.Talfournier, A.Gruez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	25.00 / 1.55
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	149.880, 92.210, 56.480, 90.00, 100.59, 90.00
*R / R_free (%)*	16.4 / 20

Other elements in 4lrs:

The structure of Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site (pdb code 4lrs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site, PDB code: 4lrs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4lrs

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Chlorine Binding Sites List in 4lrs

Chlorine binding site 1 out of 2 in the Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl403 b:24.8 occ:1.00	OG	A:SER182	3.0	15.2	1.0
	N	A:SER182	3.3	9.3	1.0
	O	A:HOH635	3.4	33.1	1.0
	CB	A:SER182	3.6	11.6	1.0
	CB	A:LEU181	3.7	12.1	1.0
	O	A:VAL180	3.8	18.4	1.0
	CA	A:SER182	4.0	8.9	1.0
	CG1	A:VAL180	4.2	11.0	1.0
	C	A:LEU181	4.3	9.3	1.0
	CD1	A:LEU181	4.4	14.2	1.0
	CA	A:LEU181	4.4	11.0	1.0
	C	A:VAL180	4.4	13.1	1.0
	CG	A:LEU181	4.5	12.0	1.0
	N	A:LEU181	4.8	14.2	1.0

Chlorine binding site 2 out of 2 in 4lrs

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Chlorine Binding Sites List in 4lrs

Chlorine binding site 2 out of 2 in the Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl402 b:29.0 occ:1.00	N	B:PHE280	2.8	6.4	1.0
	O	B:THR260	2.9	11.3	0.8
	O	B:THR260	2.9	12.3	0.2
	OG1	B:THR260	3.1	16.0	0.8
	O	B:GLU261	3.1	10.4	1.0
	C	B:GLU261	3.4	10.8	1.0
	CA	B:VAL279	3.5	6.4	1.0
	CA	B:PRO262	3.5	8.9	1.0
	N	B:PRO262	3.6	9.2	1.0
	C	B:THR260	3.6	11.2	0.8
	CD1	B:PHE280	3.6	6.9	1.0
	C	B:THR260	3.6	11.7	0.2
	C	B:VAL279	3.7	6.1	1.0
	CG2	B:THR260	3.7	12.4	0.2
	CD2	B:LEU258	3.7	12.6	1.0
	CA	B:PHE280	3.8	6.6	1.0
	CB	B:PHE280	3.8	7.4	1.0
	O	B:ALA278	3.9	6.7	1.0
	O	B:PHE280	3.9	7.9	1.0
	CG1	B:VAL279	4.1	7.2	1.0
	N	B:THR260	4.1	12.1	0.8
	N	B:THR260	4.2	12.3	0.2
	CB	B:THR260	4.2	14.4	0.8
	CG	B:PHE280	4.2	7.0	1.0
	CA	B:THR260	4.2	12.9	0.8
	C	B:PHE280	4.3	7.5	1.0
	N	B:GLU261	4.3	11.0	1.0
	CA	B:THR260	4.4	12.4	0.2
	CB	B:VAL279	4.4	6.6	1.0
	CA	B:GLU261	4.4	11.6	1.0
	CD	B:PRO262	4.4	9.1	1.0
	N	B:VAL279	4.5	6.5	1.0
	C	B:PRO262	4.5	8.6	1.0
	CG	B:PRO262	4.5	7.9	1.0
	CB	B:PRO262	4.6	8.7	1.0
	CB	B:THR260	4.6	13.1	0.2
	C	B:ALA278	4.6	6.9	1.0
	N	B:GLN263	4.7	7.5	1.0
	CE1	B:PHE280	4.7	7.8	1.0
	O	B:VAL279	4.9	7.0	1.0
	CG2	B:THR260	5.0	16.8	0.8

Reference:

B.Fischer, G.Branlant, F.Talfournier, A.Gruez. Crystal and Solution Structures of the Bifunctional Enzyme (Aldolase/Aldehyde Dehydrogenase) From Thermomonospora Curvata, Reveal A Cofactor-Binding Domain Motion During Nad+ and Coa Accommodation Whithin the Shared Cofactor-Binding Site To Be Published.

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