Sodium in PDB 3hh3: New Azaborine Compounds Bind to the T4 Lysozyme L99A Cavity - 1,2- Dihydro-1,2-Azaborine

Enzymatic activity of New Azaborine Compounds Bind to the T4 Lysozyme L99A Cavity - 1,2- Dihydro-1,2-Azaborine

All present enzymatic activity of New Azaborine Compounds Bind to the T4 Lysozyme L99A Cavity - 1,2- Dihydro-1,2-Azaborine:
3.2.1.17;

Protein crystallography data

The structure of New Azaborine Compounds Bind to the T4 Lysozyme L99A Cavity - 1,2- Dihydro-1,2-Azaborine, PDB code: 3hh3 was solved by L.Liu, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.58 / 1.25
*Space group*	P 3₂ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	59.904, 59.904, 95.443, 90.00, 90.00, 120.00
*R / R_free (%)*	16.6 / 18.7

Sodium Binding Sites:

The binding sites of Sodium atom in the New Azaborine Compounds Bind to the T4 Lysozyme L99A Cavity - 1,2- Dihydro-1,2-Azaborine (pdb code 3hh3). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the New Azaborine Compounds Bind to the T4 Lysozyme L99A Cavity - 1,2- Dihydro-1,2-Azaborine, PDB code: 3hh3:

Sodium binding site 1 out of 1 in 3hh3

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Sodium Binding Sites List in 3hh3

Sodium binding site 1 out of 1 in the New Azaborine Compounds Bind to the T4 Lysozyme L99A Cavity - 1,2- Dihydro-1,2-Azaborine

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of New Azaborine Compounds Bind to the T4 Lysozyme L99A Cavity - 1,2- Dihydro-1,2-Azaborine within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na168 b:19.1 occ:1.00	O	A:HOH233	2.4	31.2	1.0
	O	A:HOH202	2.5	33.7	1.0
	O	A:GLU11	2.9	11.5	1.0
	O	A:HOH282	3.0	16.9	1.0
	OE1	A:GLU11	3.0	14.1	1.0
	O	A:HOH358	3.0	28.4	1.0
	OH	A:TYR18	3.2	15.6	1.0
	O	A:HOH300	3.2	24.0	1.0
	O	A:HOH173	3.5	20.0	0.5
	O	A:HOH368	3.6	24.5	1.0
	O	A:HOH291	3.7	13.8	0.5
	C	A:GLU11	3.8	10.5	1.0
	CE2	A:TYR18	3.8	14.6	1.0
	CA	A:GLU11	3.9	10.7	1.0
	CZ	A:TYR18	3.9	14.4	1.0
	CD	A:GLU11	4.2	12.8	1.0
	O	A:HOH291	4.2	10.6	0.5
	CB	A:GLU11	4.3	10.9	1.0
	CA	A:GLY30	4.4	9.6	1.0
	N	A:GLY30	4.7	9.1	1.0
	CG	A:GLU11	4.9	12.3	1.0
	O	A:ASP10	4.9	11.1	1.0
	O	A:HOH184	4.9	37.0	1.0

Reference:

L.Liu, A.J.Marwitz, B.W.Matthews, S.Y.Liu. Boron Mimetics: 1,2-Dihydro-1,2-Azaborines Bind Inside A Nonpolar Cavity of T4 Lysozyme. Angew.Chem.Int.Ed.Engl. V. 48 6817 2009.
ISSN: ISSN 1433-7851
PubMed: 19688806
DOI: 10.1002/ANIE.200903390

Page generated: Mon Oct 7 10:23:20 2024

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