Fluorine in PDB 8ogy: Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D04

Enzymatic activity of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D04

All present enzymatic activity of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D04:
2.7.7.85;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D04, PDB code: 8ogy was solved by T.B.Garbers, P.Neumann, J.Wollenhaupt, M.S.Weiss, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	42.68 / 1.23
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	118.94, 39.2, 68.2, 90, 95.4, 90
*R / R_free (%)*	18 / 21.9

Other elements in 8ogy:

The structure of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D04 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D04 (pdb code 8ogy). 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 Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D04, PDB code: 8ogy:

Fluorine binding site 1 out of 1 in 8ogy

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Fluorine Binding Sites List in 8ogy

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D04

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry D04 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F301 b:27.2 occ:0.23	F	A:RQD301	0.0	27.2	0.2
	O	A:HOH539	1.0	45.4	0.8
	C7	A:RQD301	1.4	24.1	0.2
	C6	A:RQD301	2.4	23.1	0.2
	C8	A:RQD301	2.4	24.2	0.2
	HD23	A:LEU245	2.5	25.9	1.0
	HB	A:THR117	2.9	26.4	1.0
	HA	A:GLU242	3.2	35.7	1.0
	HA	A:THR117	3.2	22.6	1.0
	HB	A:ILE120	3.2	20.2	1.0
	CD2	A:LEU245	3.3	21.6	1.0
	HG22	A:ILE120	3.3	21.7	1.0
	HD22	A:LEU245	3.4	25.9	1.0
	O	A:HOH514	3.4	43.2	0.8
	HG22	A:THR117	3.5	25.8	1.0
	HG3	A:GLU242	3.5	46.3	1.0
	O	A:THR117	3.6	19.7	1.0
	CB	A:THR117	3.6	22.0	1.0
	HB3	A:LEU245	3.6	22.9	1.0
	C9	A:RQD301	3.7	24.7	0.2
	C5	A:RQD301	3.7	23.9	0.2
	HB2	A:GLU242	3.7	40.6	1.0
	CA	A:THR117	3.8	18.9	1.0
	HD21	A:LEU245	3.8	25.9	1.0
	O	A:HOH534	3.8	43.5	0.8
	HG21	A:ILE120	3.9	21.7	1.0
	CG2	A:ILE120	3.9	18.1	1.0
	CB	A:ILE120	4.0	16.8	1.0
	CG2	A:THR117	4.0	21.5	1.0
	CA	A:GLU242	4.0	29.8	1.0
	CG	A:GLU242	4.0	38.6	1.0
	CB	A:GLU242	4.1	33.8	1.0
	HB2	A:ASN121	4.1	29.9	0.8
	HB2	A:ASN121	4.1	29.6	0.2
	C	A:THR117	4.1	18.6	1.0
	H	A:ASN121	4.1	22.1	0.2
	H	A:ASN121	4.2	21.2	0.8
	OE1	A:GLU242	4.2	43.7	1.0
	C4	A:RQD301	4.2	24.5	0.2
	CD	A:GLU242	4.2	42.7	1.0
	CB	A:LEU245	4.3	19.1	1.0
	CG	A:LEU245	4.4	19.1	1.0
	N	A:ASN121	4.4	18.4	0.2
	HG21	A:THR117	4.4	25.8	1.0
	N	A:ASN121	4.4	17.7	0.8
	HB2	A:LEU245	4.5	22.9	1.0
	O	A:GLU242	4.6	27.0	1.0
	HG	A:LEU245	4.6	22.9	1.0
	HG11	A:VAL228	4.6	20.2	1.0
	HA	A:ASN121	4.7	25.5	0.8
	HA	A:ASN121	4.7	25.3	0.2
	HG13	A:ILE120	4.7	19.7	1.0
	HG23	A:ILE120	4.8	21.7	1.0
	C	A:GLU242	4.8	28.2	1.0
	HG23	A:THR117	4.8	25.8	1.0
	C	A:ILE120	4.8	16.6	1.0
	HG21	A:VAL228	4.9	20.9	1.0
	OG1	A:THR117	4.9	22.9	1.0
	CB	A:ASN121	4.9	25.0	0.8
	CB	A:ASN121	4.9	24.7	0.2
	OE2	A:GLU242	4.9	44.2	1.0
	CA	A:ASN121	4.9	21.1	0.2
	CA	A:ASN121	4.9	21.3	0.8
	CG1	A:ILE120	5.0	16.4	1.0
HG2	A:GLU242	5.0	46.3	1.0
CA	A:ILE120	5.0	16.6	1.0

Reference:

T.B.Garbers, P.Neumann, J.Wollenhaupt, M.S.Weiss, R.Ficner. Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X-Entry D04 To Be Published.

Page generated: Fri Aug 2 21:08:44 2024

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