Fluorine in PDB 3u7m: Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors

Enzymatic activity of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors

All present enzymatic activity of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors:
3.5.1.88;

Protein crystallography data

The structure of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors, PDB code: 3u7m was solved by S.J.Lee, S.-J.Lee, S.K.Lee, H.-J.Yoon, H.H.Lee, K.K.Kim, B.J.Lee, S.W.Suh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 2.15
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	94.580, 119.703, 47.268, 90.00, 90.00, 90.00
*R / R_free (%)*	19.5 / 22.3

Other elements in 3u7m:

The structure of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors (pdb code 3u7m). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors, PDB code: 3u7m:

Fluorine binding site 1 out of 1 in 3u7m

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Fluorine Binding Sites List in 3u7m

Fluorine binding site 1 out of 1 in the Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structures of the Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F192 b:62.3 occ:1.00	FAH	A:FHF192	0.0	62.3	1.0
	CAV	A:FHF192	0.9	62.4	1.0
	CAW	A:FHF192	2.0	61.9	1.0
	CAL	A:FHF192	2.0	63.0	1.0
	NAR	A:FHF192	2.3	60.0	1.0
	OG	A:SER57	3.1	31.8	1.0
	CAM	A:FHF192	3.2	62.2	1.0
	CAJ	A:FHF192	3.2	63.3	1.0
	CAT	A:FHF192	3.4	58.9	1.0
	CB	A:SER57	3.5	28.6	1.0
	CAK	A:FHF192	3.6	63.2	1.0
	C	A:SER57	3.7	27.2	1.0
	CG1	A:VAL59	3.8	20.2	1.0
	O	A:SER57	3.8	27.3	1.0
	N	A:GLY58	3.9	26.0	1.0
	C	A:GLY58	4.1	23.4	1.0
	N	A:FHF192	4.1	58.6	1.0
	OAE	A:FHF192	4.1	59.3	1.0
	CA	A:GLY58	4.2	24.5	1.0
	CA	A:SER57	4.2	28.5	1.0
	O	A:GLY58	4.2	22.5	1.0
	CG	A:GLN45	4.5	28.1	1.0
	N	A:VAL59	4.5	22.1	1.0
	NE2	A:GLN45	4.8	27.3	1.0
	CD	A:GLN45	4.9	27.8	1.0

Reference:

S.J.Lee, S.-J.Lee, S.K.Lee, H.-J.Yoon, H.H.Lee, K.K.Kim, B.J.Lee, B.I.Lee, S.W.Suh. Structures of Staphylococcus Aureus Peptide Deformylase in Complex with Two Classes of New Inhibitors Acta Crystallogr.,Sect.D V. 68 784 2012.
ISSN: ISSN 0907-4449
PubMed: 22751663
DOI: 10.1107/S0907444912011912

Page generated: Sun Dec 13 11:56:19 2020

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