Fluorine in PDB 4ear: Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate

Enzymatic activity of Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate

All present enzymatic activity of Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate:
2.4.2.1;

Protein crystallography data

The structure of Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate, PDB code: 4ear was solved by A.M.Haapalainen, M.C.Ho, J.J.Suarez, S.C.Almo, V.L.Schramm, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	41.24 / 1.70
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	55.916, 131.100, 137.680, 90.00, 90.00, 90.00
*R / R_free (%)*	17.5 / 20.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate (pdb code 4ear). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate, PDB code: 4ear:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 4ear

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Fluorine Binding Sites List in 4ear

Fluorine binding site 1 out of 3 in the Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F257 b:66.8 occ:1.00	FAP	A:FT6257	0.0	66.8	1.0
	CH2	A:FT6257	1.3	59.1	1.0
	CZ2	A:FT6257	2.4	55.3	1.0
	CZ3	A:FT6257	2.4	57.2	1.0
	CE2	A:FT6257	3.6	53.5	1.0
	CE3	A:FT6257	3.7	52.8	1.0
	CD2	A:FT6257	4.1	52.1	1.0
	OE2	A:GLU258	4.8	61.6	1.0
	NE1	A:FT6257	4.9	52.4	1.0
	CG	A:GLU258	4.9	51.7	1.0
	CB	A:PRO62	5.0	48.1	1.0

Fluorine binding site 2 out of 3 in 4ear

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Fluorine Binding Sites List in 4ear

Fluorine binding site 2 out of 3 in the Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:F257 b:55.9 occ:1.00	FAP	B:FT6257	0.0	55.9	1.0
	CH2	B:FT6257	1.3	51.8	1.0
	CZ3	B:FT6257	2.4	48.4	1.0
	CZ2	B:FT6257	2.4	49.0	1.0
	CE2	B:FT6257	3.6	45.9	1.0
	CE3	B:FT6257	3.6	43.1	1.0
	CD2	B:FT6257	4.1	45.7	1.0
	CB	B:PRO62	4.5	45.4	1.0
	CG	B:GLU258	4.7	48.2	1.0
	O	B:HOH588	4.7	64.1	1.0
	CG	B:PRO62	4.8	46.9	1.0
	NE1	B:FT6257	4.9	46.0	1.0
	OE2	B:GLU258	4.9	64.6	1.0

Fluorine binding site 3 out of 3 in 4ear

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Fluorine Binding Sites List in 4ear

Fluorine binding site 3 out of 3 in the Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Purine Nucleoside Phosphorylase (W16Y, W94Y, W178Y, H257W) Mutant From Human Complexed with Dadme-Immg and Phosphate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:F257 b:53.3 occ:1.00	FAP	C:FT6257	0.0	53.3	1.0
	CH2	C:FT6257	1.3	41.5	1.0
	CZ2	C:FT6257	2.3	41.4	1.0
	CZ3	C:FT6257	2.4	40.6	1.0
	CE2	C:FT6257	3.6	40.0	1.0
	CE3	C:FT6257	3.6	39.0	1.0
	CD2	C:FT6257	4.1	36.8	1.0
	CG	C:GLU258	4.3	39.8	1.0
	CD	C:GLU258	4.5	48.7	1.0
	OE2	C:GLU258	4.5	51.1	1.0
	NE1	C:FT6257	4.8	42.6	1.0

Reference:

J.Suarez, A.M.Haapalainen, S.M.Cahill, M.C.Ho, F.Yan, S.C.Almo, V.L.Schramm. Catalytic Site Conformations in Human Pnp By (19)F-uc(Nmr) and Crystallography. Chem.Biol. V. 20 212 2013.
ISSN: ISSN 1074-5521
PubMed: 23438750
DOI: 10.1016/J.CHEMBIOL.2013.01.009

Page generated: Thu Aug 1 01:16:34 2024

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