Sodium in PDB 1kr3: Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050.

Enzymatic activity of Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050.

All present enzymatic activity of Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050.:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050., PDB code: 1kr3 was solved by D.J.Payne, J.A.Hueso-Rodrguez, H.Boyd, N.O.Concha, C.A.Janson, M.Gilpin, J.H.Bateson, C.Cheever, N.L.Niconovich, S.Pearson, S.Rittenhouse, D.Tew, E.Dez, P.Prez, J.De La Fuente, M.Rees, A.Rivera-Sagredo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.07 / 2.50
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	41.800, 44.200, 58.500, 92.80, 95.30, 98.00
*R / R_free (%)*	n/a / n/a

Other elements in 1kr3:

The structure of Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050. also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050. (pdb code 1kr3). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050., PDB code: 1kr3:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 1kr3

Go back to

Sodium Binding Sites List in 1kr3

Sodium binding site 1 out of 2 in the Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050.

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na501 b:3.1 occ:1.00	O	A:HOH616	2.9	13.4	1.0
	O	A:ASP103	3.1	23.9	1.0
	OH	A:TYR40	3.1	15.8	1.0
	O	A:THR70	3.1	25.2	1.0
	O	A:ASN55	3.1	19.7	1.0
	C	A:THR70	3.6	21.4	1.0
	CB	A:ASP69	3.6	16.9	1.0
	C	A:ASN55	3.7	21.8	1.0
	CB	A:SER54	3.9	29.6	1.0
	CZ	A:TYR40	3.9	11.4	1.0
	N	A:THR70	4.0	19.2	1.0
	CE1	A:TYR40	4.0	12.1	1.0
	C	A:ASP103	4.0	26.5	1.0
	OD2	A:ASP69	4.1	16.1	1.0
	N	A:PRO71	4.1	22.3	1.0
	C	A:SER54	4.1	25.5	1.0
	O	A:SER54	4.2	22.9	1.0
	CA	A:PRO71	4.2	25.5	1.0
	N	A:ASN55	4.2	25.6	1.0
	C	A:ASP69	4.3	20.4	1.0
	CG	A:ASP69	4.3	15.2	1.0
	N	A:GLY56	4.3	21.0	1.0
	CA	A:THR70	4.3	21.0	1.0
	CA	A:ASN55	4.4	23.6	1.0
	OG	A:SER42	4.5	36.7	1.0
	CA	A:GLY56	4.5	20.7	1.0
	CA	A:ASP69	4.6	17.0	1.0
	CA	A:SER54	4.7	28.2	1.0
	CA	A:ASP103	4.7	29.1	1.0
	O	A:ASP69	4.8	18.5	1.0
	CB	A:ASP103	4.8	29.4	1.0
	OG	A:SER54	4.9	32.2	1.0
	N	A:CYS104	5.0	24.4	1.0
	C	A:PRO71	5.0	26.6	1.0

Sodium binding site 2 out of 2 in 1kr3

Go back to

Sodium Binding Sites List in 1kr3

Sodium binding site 2 out of 2 in the Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050.

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of the Metallo Beta-Lactamase From Bacteroides Fragilis (Cfia) in Complex with the Tricyclic Inhibitor Sb-236050. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Na502 b:3.1 occ:1.00	O	B:ASP103	2.3	19.1	1.0
	O	B:ASN55	2.7	18.4	1.0
	O	B:THR70	3.3	19.9	1.0
	C	B:ASN55	3.5	19.4	1.0
	C	B:ASP103	3.5	15.7	1.0
	O	B:HOH617	3.6	14.4	1.0
	CB	B:SER54	3.6	23.4	1.0
	CB	B:ASP69	3.8	6.1	1.0
	OD2	B:ASP69	3.8	11.1	1.0
	N	B:ASN55	3.8	24.7	1.0
	C	B:SER54	4.0	25.9	1.0
	CA	B:ASN55	4.2	19.2	1.0
	CG	B:ASP69	4.2	4.5	1.0
	OH	B:TYR40	4.2	7.8	1.0
	N	B:GLY56	4.3	19.9	1.0
	CA	B:ASP103	4.3	16.6	1.0
	CB	B:ASP103	4.3	13.3	1.0
	OG	B:SER54	4.3	26.6	1.0
	O	B:SER54	4.4	25.9	1.0
	C	B:THR70	4.4	13.8	1.0
	CA	B:SER54	4.4	25.8	1.0
	N	B:CYS104	4.5	18.8	1.0
	CA	B:GLY56	4.5	19.9	1.0
	N	B:THR70	4.6	17.1	1.0
	CA	B:CYS104	4.7	16.9	1.0
	C	B:ASP69	4.8	13.5	1.0
	OD2	B:ASP103	4.9	14.7	1.0
	CZ	B:TYR40	4.9	6.9	1.0
	CA	B:ASP69	4.9	10.8	1.0
	CE1	B:TYR40	4.9	3.3	1.0

Reference:

D.J.Payne, J.A.Hueso-Rodrguez, H.Boyd, N.O.Concha, C.A.Janson, M.Gilpin, J.H.Bateson, C.Cheever, N.L.Niconovich, S.Pearson, S.Rittenhouse, D.Tew, E.Dez, P.Prez, J.De La Fuente, M.Rees, A.Rivera-Sagredo. Identification of A Series of Tricyclic Natural Products As Potent Broad-Spectrum Inhibitors of Metallo-Beta-Lactamases Antimicrob.Agents Chemother. V. 46 1880 2002.
ISSN: ISSN 0066-4804
PubMed: 12019104
DOI: 10.1128/AAC.46.6.1880-1886.2002

Page generated: Sun Oct 6 19:39:32 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