Chlorine in PDB 3kia: Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus

Enzymatic activity of Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus

All present enzymatic activity of Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus:
2.4.1.217;

Protein crystallography data

The structure of Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus, PDB code: 3kia was solved by S.Macedo-Ribeiro, P.J.B.Pereira, N.Empadinhas, M.S.Da Costa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	53.70 / 2.80
*Space group*	P 6₅ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	109.010, 109.010, 313.418, 90.00, 90.00, 120.00
*R / R_free (%)*	19 / 23.9

Other elements in 3kia:

The structure of Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus (pdb code 3kia). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus, PDB code: 3kia:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3kia

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Chlorine Binding Sites List in 3kia

Chlorine binding site 1 out of 3 in the Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl337 b:58.2 occ:1.00	N	A:LEU322	3.3	56.0	1.0
	NH1	A:ARG273	3.4	40.3	1.0
	NH2	A:ARG273	3.6	39.5	1.0
	CG	A:GLU321	3.9	80.2	1.0
	CA	A:GLU321	4.0	76.8	1.0
	CZ	A:ARG273	4.0	38.7	1.0
	CB	A:LEU322	4.1	51.7	1.0
	C	A:GLU321	4.1	75.0	1.0
	CA	A:LEU322	4.2	54.6	1.0
	CB	A:SER301	4.2	57.5	1.0
	O	A:LEU322	4.4	56.3	1.0
	CB	A:GLU321	4.5	80.3	1.0
	N	A:SER301	4.5	52.4	1.0
	C	A:LEU322	4.6	56.6	1.0
	CA	A:SER301	4.6	54.1	1.0
	OG	A:SER301	4.7	58.5	1.0
	CB	A:LEU300	5.0	44.0	1.0

Chlorine binding site 2 out of 3 in 3kia

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Chlorine Binding Sites List in 3kia

Chlorine binding site 2 out of 3 in the Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl338 b:48.8 occ:1.00	O	A:HOH383	3.0	33.2	1.0
	NH2	A:ARG273	3.1	39.5	1.0
	NH1	A:ARG277	3.1	47.1	1.0
	CD	A:ARG277	3.4	43.9	1.0
	CD1	A:LEU300	4.0	42.6	1.0
	CZ	A:ARG277	4.0	46.7	1.0
	NE	A:ARG277	4.1	45.1	1.0
	CB	A:ARG277	4.2	40.4	1.0
	CZ	A:ARG273	4.2	38.7	1.0
	CD2	A:LEU322	4.4	48.2	1.0
	CG	A:ARG277	4.4	42.4	1.0
	CA	A:ARG277	4.5	39.6	1.0
	NE	A:ARG273	4.5	36.5	1.0
	CD2	A:LEU288	4.7	63.8	1.0
	N	A:ARG277	5.0	37.8	1.0

Chlorine binding site 3 out of 3 in 3kia

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Chlorine Binding Sites List in 3kia

Chlorine binding site 3 out of 3 in the Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Cl337 b:68.5 occ:1.00	O	C:HOH350	3.3	42.2	1.0
	N	C:LEU322	3.9	54.5	1.0
	NH2	C:ARG273	4.0	50.7	1.0
	CB	C:SER301	4.0	69.4	1.0
	NH1	C:ARG273	4.0	53.5	1.0
	O	C:LEU322	4.2	53.9	1.0
	OG	C:SER301	4.3	68.8	1.0
	CG	C:GLU321	4.4	0.3	1.0
	CZ	C:ARG273	4.5	51.5	1.0
	CA	C:GLU321	4.6	0.7	1.0
	CA	C:LEU322	4.7	52.7	1.0
	CB	C:LEU322	4.7	54.4	1.0
	C	C:GLU321	4.8	0.9	1.0
	N	C:SER301	4.8	68.0	1.0
	C	C:LEU322	4.9	52.0	1.0
	CA	C:SER301	4.9	69.4	1.0

Reference:

N.Empadinhas, P.J.B.Pereira, L.Albuquerque, J.Costa, B.Sa-Moura, A.T.Marques, S.Macedo-Ribeiro, M.S.Da Costa. Functional and Structural Characterization of A Novel Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus Reveals Its Dual Substrate Specificity Mol.Microbiol. V. 79 76 2011.
ISSN: ISSN 0950-382X
PubMed: 21166895
DOI: 10.1111/J.1365-2958.2010.07432.X

Page generated: Sat Jul 20 22:41:12 2024

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