Manganese in PDB 6ppz: Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Manganese, Inorganic Phosphate, and N-Acetylmannosamine (Neub.MN2+.Pi.Mannac)

Enzymatic activity of Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Manganese, Inorganic Phosphate, and N-Acetylmannosamine (Neub.MN2+.Pi.Mannac)

All present enzymatic activity of Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Manganese, Inorganic Phosphate, and N-Acetylmannosamine (Neub.MN2+.Pi.Mannac):
2.5.1.56;

Protein crystallography data

The structure of Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Manganese, Inorganic Phosphate, and N-Acetylmannosamine (Neub.MN2+.Pi.Mannac), PDB code: 6ppz was solved by P.J.Berti, M.S.Junop, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.69 / 2.40
*Space group*	P 2₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	57.990, 75.860, 77.660, 90.00, 90.00, 90.00
*R / R_free (%)*	17.9 / 26.5

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Manganese, Inorganic Phosphate, and N-Acetylmannosamine (Neub.MN2+.Pi.Mannac) (pdb code 6ppz). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Manganese, Inorganic Phosphate, and N-Acetylmannosamine (Neub.MN2+.Pi.Mannac), PDB code: 6ppz:

Manganese binding site 1 out of 1 in 6ppz

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Manganese Binding Sites List in 6ppz

Manganese binding site 1 out of 1 in the Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Manganese, Inorganic Phosphate, and N-Acetylmannosamine (Neub.MN2+.Pi.Mannac)

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Neub, An N-Acetylneuraminate Synthase From Neisseria Meningitidis, in Complex with Manganese, Inorganic Phosphate, and N-Acetylmannosamine (Neub.MN2+.Pi.Mannac) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn402 b:52.1 occ:0.93	O4	A:PO4403	2.2	37.6	0.8
	NE2	A:HIS215	2.6	22.4	1.0
	CE1	A:HIS236	2.8	33.0	1.0
	O1	A:MN9401	2.9	33.2	1.0
	C	A:MN9401	3.2	28.6	1.0
	OE2	A:GLU234	3.3	39.7	1.0
	P	A:PO4403	3.4	39.2	0.8
	CE1	A:HIS215	3.5	27.9	1.0
	NE2	A:HIS236	3.5	29.4	1.0
	CD2	A:HIS215	3.6	23.8	1.0
	OE2	A:GLU25	3.6	38.8	1.0
	ND1	A:HIS236	3.7	30.0	1.0
	O2	A:PO4403	3.8	32.0	0.8
	O3	A:PO4403	3.8	32.3	0.8
	OG	A:SER213	4.1	28.3	1.0
	OH	A:TYR186	4.2	33.0	1.0
	O	A:HOH501	4.4	34.0	1.0
	CD	A:GLU25	4.5	30.8	1.0
	O1	A:PO4403	4.6	34.0	0.8
	CD	A:GLU234	4.6	34.4	1.0
	OE1	A:GLU25	4.6	35.4	1.0
	ND1	A:HIS215	4.6	26.5	1.0
	CD2	A:HIS236	4.7	29.6	1.0
	C2	A:MN9401	4.7	32.0	1.0
	CE2	A:TYR186	4.7	33.4	1.0
	CG	A:HIS215	4.7	23.7	1.0
	CG	A:HIS236	4.8	30.4	1.0
	CZ	A:TYR186	4.9	38.6	1.0

Reference:

V.Popovic, E.Morrison, A.Z.Rosanally, N.Balachandran, A.W.Senson, R.Szabla, M.S.Junop, P.J.Berti. Neunac Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase Neub. Biochemistry V. 58 4236 2019.
ISSN: ISSN 0006-2960
PubMed: 31549502
DOI: 10.1021/ACS.BIOCHEM.9B00654

Page generated: Sun Oct 6 05:51:58 2024

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