Chlorine in PDB 1jak: Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg)

Enzymatic activity of Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg)

All present enzymatic activity of Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg):
3.2.1.52;

Protein crystallography data

The structure of Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg), PDB code: 1jak was solved by B.L.Mark, D.J.Vocadlo, D.Zhao, S.Knapp, S.G.Withers, M.N.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	44.10 / 1.75
*Space group*	P 6₁ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	132.767, 132.767, 177.024, 90.00, 90.00, 120.00
*R / R_free (%)*	17.6 / 19.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg) (pdb code 1jak). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg), PDB code: 1jak:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1jak

Go back to

Chlorine Binding Sites List in 1jak

Chlorine binding site 1 out of 3 in the Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl606 b:9.1 occ:1.00	OH	A:TYR271	3.0	7.1	1.0
	O	A:HOH664	3.1	10.8	1.0
	CD	A:LYS275	3.7	10.4	1.0
	CE1	A:TYR271	3.7	7.0	1.0
	CZ	A:TYR271	3.8	7.9	1.0
	CG	A:LYS275	4.1	9.6	1.0
	CB	A:LYS275	4.5	9.1	1.0
	CA	A:GLY273	4.6	8.1	1.0
	CE	A:LYS275	4.8	11.0	1.0
	O	A:HOH1024	4.9	33.5	1.0
	CD1	A:TYR271	5.0	8.5	1.0

Chlorine binding site 2 out of 3 in 1jak

Go back to

Chlorine Binding Sites List in 1jak

Chlorine binding site 2 out of 3 in the Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl607 b:11.3 occ:1.00	O	A:HOH775	3.1	22.2	1.0
	NH1	A:ARG176	3.2	10.9	1.0
	NE	A:ARG179	3.2	7.9	1.0
	NH2	A:ARG179	3.4	8.7	1.0
	CZ	A:ARG179	3.7	10.3	1.0
	O	A:ASP175	3.7	8.8	1.0
	C	A:ASP175	3.8	7.7	1.0
	CD	A:ARG176	3.8	8.8	1.0
	CB	A:ASP175	3.9	10.6	1.0
	N	A:ARG176	3.9	6.3	1.0
	O	A:HOH653	4.0	13.2	1.0
	CA	A:ARG176	4.1	7.0	1.0
	CZ	A:ARG176	4.3	9.6	1.0
	CD	A:ARG179	4.3	6.4	1.0
	CA	A:ASP175	4.5	7.7	1.0
	CD1	A:ILE495	4.5	12.4	1.0
	NE	A:ARG176	4.5	8.9	1.0
	CG	A:ARG176	4.5	7.9	1.0
	O	A:HOH1073	4.7	30.8	1.0
	CG	A:ARG179	4.8	5.5	1.0
	O	A:ARG172	4.9	6.7	1.0
	CB	A:ARG176	4.9	8.1	1.0
	NH2	A:ARG121	4.9	9.3	1.0

Chlorine binding site 3 out of 3 in 1jak

Go back to

Chlorine Binding Sites List in 1jak

Chlorine binding site 3 out of 3 in the Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Streptomyces Plicatus Beta-N-Acetylhexosaminidase in Complex with (2R, 3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (Ifg) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl608 b:14.8 occ:1.00	N	A:VAL276	3.3	6.8	1.0
	NZ	A:LYS275	3.4	9.8	1.0
	CA	A:LYS275	3.6	7.0	1.0
	CB	A:LYS275	3.7	9.1	1.0
	O	A:VAL276	3.9	8.1	1.0
	CG	A:LYS275	3.9	9.6	1.0
	C	A:LYS275	4.0	7.5	1.0
	CG2	A:VAL276	4.0	7.8	1.0
	CA	A:VAL276	4.3	5.7	1.0
	CE	A:LYS275	4.4	11.0	1.0
	O1	A:GOL602	4.5	18.0	1.0
	C	A:VAL276	4.6	6.7	1.0
	CB	A:VAL276	4.7	5.5	1.0
	CD	A:LYS275	4.7	10.4	1.0
	N	A:LYS275	5.0	7.4	1.0
	O	A:THR274	5.0	10.4	1.0

Reference:

B.L.Mark, D.J.Vocadlo, D.Zhao, S.Knapp, S.G.Withers, M.N.James. Biochemical and Structural Assessment of the 1-N-Azasugar Galnac-Isofagomine As A Potent Family 20 Beta-N-Acetylhexosaminidase Inhibitor. J.Biol.Chem. V. 276 42131 2001.
ISSN: ISSN 0021-9258
PubMed: 11522797
DOI: 10.1074/JBC.M107154200

Page generated: Fri Jul 19 22:56:36 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy