Magnesium in PDB 8swm: Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate

Enzymatic activity of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate

All present enzymatic activity of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate:
1.1.1.86;

Protein crystallography data

The structure of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate, PDB code: 8swm was solved by X.Lin, T.Lonhienne, L.W.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	41.34 / 3.00
*Space group*	I 2 3
*Cell size a, b, c (Å), α, β, γ (°)*	130.715, 130.715, 130.715, 90, 90, 90
*R / R_free (%)*	22.5 / 24.9

Other elements in 8swm:

The structure of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate (pdb code 8swm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate, PDB code: 8swm:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 8swm

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Magnesium Binding Sites List in 8swm

Magnesium binding site 1 out of 3 in the Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg401 b:97.6 occ:1.00	OAD	A:X2X404	2.4	98.2	1.0
	OE2	A:GLU196	2.5	90.7	1.0
	OAE	A:X2X404	2.6	93.7	1.0
	CAH	A:X2X404	2.9	109.7	1.0
	OD2	A:ASP192	2.9	77.3	1.0
	CD	A:GLU196	3.5	79.2	1.0
	OE1	A:GLU196	3.8	68.8	1.0
	CG	A:ASP192	4.1	77.6	1.0
	NE2	A:HIS109	4.1	97.1	1.0
	CE1	A:HIS109	4.3	85.1	1.0
	CAI	A:X2X404	4.4	113.7	1.0
	CD2	A:HIS109	4.7	94.6	1.0
	CD2	A:LEU193	4.7	68.0	1.0
	OD1	A:ASP192	4.8	92.6	1.0
	CG	A:GLU196	4.8	75.2	1.0
	OD2	A:ASP84	4.9	116.5	1.0
	OAF	A:X2X404	4.9	100.7	1.0
	ND1	A:HIS109	4.9	87.9	1.0
	MG	A:MG402	4.9	108.2	1.0
	CB	A:ASP192	4.9	75.1	1.0

Magnesium binding site 2 out of 3 in 8swm

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Magnesium Binding Sites List in 8swm

Magnesium binding site 2 out of 3 in the Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg402 b:108.2 occ:1.00	OD1	A:ASP192	1.9	92.6	1.0
	OAC	A:X2X404	2.4	98.5	1.0
	CG	A:ASP192	2.8	77.6	1.0
	CAG	A:X2X404	2.9	97.5	1.0
	OD2	A:ASP192	3.2	77.3	1.0
	OAE	A:X2X404	3.2	93.7	1.0
	CAA	A:X2X404	3.3	86.1	1.0
	OE2	A:GLU196	3.4	90.7	1.0
	CG	A:GLU196	3.6	75.2	1.0
	CAH	A:X2X404	3.8	109.7	1.0
	CD	A:GLU196	4.0	79.2	1.0
	CAI	A:X2X404	4.0	113.7	1.0
	O	A:ASP192	4.1	66.1	1.0
	CB	A:ASP192	4.1	75.1	1.0
	CA	A:ASP192	4.3	63.2	1.0
	CD1	A:LEU200	4.4	62.5	1.0
	C	A:ASP192	4.5	66.4	1.0
	OAD	A:X2X404	4.8	98.2	1.0
	CAB	A:X2X404	4.9	100.3	1.0
	MG	A:MG401	4.9	97.6	1.0
	OAF	A:X2X404	5.0	100.7	1.0

Magnesium binding site 3 out of 3 in 8swm

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Magnesium Binding Sites List in 8swm

Magnesium binding site 3 out of 3 in the Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg403 b:77.7 occ:1.00	OD1	A:ASP291	3.6	80.5	1.0
	CD1	A:LEU294	3.9	61.7	1.0
	O	A:HOH510	4.0	56.8	1.0
	CG	A:ASP291	4.8	75.2	1.0
	CA	A:ASP291	4.9	58.3	1.0
	CE	A:LYS290	4.9	63.4	1.0

Reference:

X.Lin, T.Lonhienne, Y.Lv, J.Kurz, R.Mcgeary, G.Schenk, L.W.Guddat. Mapping of the Reaction Trajectory Catalyzed By Class I Ketol-Acid Reductoisomerase Acs Catalysis 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.4C00958

Page generated: Fri Oct 4 20:15:57 2024

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