Chlorine in PDB 5krr: 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Vibrio Vulnificus in Complex with Mn(2+)

Enzymatic activity of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Vibrio Vulnificus in Complex with Mn(2+)

All present enzymatic activity of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Vibrio Vulnificus in Complex with Mn(2+):
1.1.1.267;

Protein crystallography data

The structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Vibrio Vulnificus in Complex with Mn(2+), PDB code: 5krr was solved by N.Ussin, R.W.Abdulsalam, L.R.Offermann, M.Perdue, M.Chruszcz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	50.00 / 2.50
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	64.840, 149.084, 242.512, 90.00, 90.00, 90.00
*R / R_free (%)*	19.2 / 23

Other elements in 5krr:

The structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Vibrio Vulnificus in Complex with Mn(2+) also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Vibrio Vulnificus in Complex with Mn(2+) (pdb code 5krr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Vibrio Vulnificus in Complex with Mn(2+), PDB code: 5krr:

Chlorine binding site 1 out of 1 in 5krr

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Chlorine Binding Sites List in 5krr

Chlorine binding site 1 out of 1 in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Vibrio Vulnificus in Complex with Mn(2+)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Vibrio Vulnificus in Complex with Mn(2+) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl501 b:57.6 occ:1.00	N	A:ASP172	3.5	43.4	1.0
	CB	A:CYS171	4.0	44.4	1.0
	CG	A:GLN176	4.0	38.7	1.0
	CA	A:VAL164	4.0	34.8	1.0
	CA	A:CYS171	4.0	45.5	1.0
	O	A:THR163	4.1	40.5	1.0
	N	A:VAL164	4.2	36.4	1.0
	CG2	A:VAL164	4.2	34.2	1.0
	C	A:THR163	4.2	38.9	1.0
	O	A:ASP172	4.3	39.3	1.0
	CB	A:ASN167	4.3	46.4	1.0
	C	A:CYS171	4.3	44.7	1.0
	CA	A:ASP172	4.4	43.3	1.0
	CD	A:GLN176	4.5	40.8	1.0
	C	A:ASP172	4.5	39.8	1.0
	CB	A:ASP172	4.6	46.2	1.0
	NE2	A:GLN176	4.6	43.4	1.0
	CB	A:VAL164	4.7	33.2	1.0
	CG	A:ASN167	4.8	51.1	1.0
	CB	A:THR163	5.0	42.5	1.0

Reference:

N.K.Ussin, A.M.Bagnell, L.R.Offermann, R.Abdulsalam, M.L.Perdue, P.Magee, M.Chruszcz. Structural Characterization of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Vibrio Vulnificus. Biochim Biophys Acta V.1866 1209 2018PROTEINS Proteom.
ISSN: ISSN 1878-1454
PubMed: 30278288
DOI: 10.1016/J.BBAPAP.2018.09.008

Page generated: Sat Dec 12 11:57:21 2020

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