Fluorine in PDB 7aum: Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with 5-PCF2AM-INSP5

All present enzymatic activity of Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with 5-PCF2AM-INSP5:
3.6.1.52; 3.6.1.60;

The structure of Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with 5-PCF2AM-INSP5, PDB code: 7aum was solved by M.A.Marquez-Monino, B.Gonzalez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.73 / 2.07
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.809, 61.809, 95.474, 90, 90, 120
R / Rfree (%)	22.4 / 23.8

The binding sites of Fluorine atom in the Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with 5-PCF2AM-INSP5 (pdb code 7aum). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with 5-PCF2AM-INSP5, PDB code: 7aum:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with 5-PCF2AM-INSP5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with 5-PCF2AM-INSP5 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:171.5 occ:1.00 F55 A:KDJ201 0.0 171.5 1.0 C45 A:KDJ201 1.4 168.2 1.0 F65 A:KDJ201 2.2 165.6 1.0 C25 A:KDJ201 2.3 158.4 1.0 PB5 A:KDJ201 2.4 176.4 1.0 O95 A:KDJ201 2.7 177.5 1.0 O35 A:KDJ201 2.9 164.4 1.0 O85 A:KDJ201 3.0 179.4 1.0 O A:HOH316 3.3 68.2 1.0 N15 A:KDJ201 3.3 140.7 1.0 O75 A:KDJ201 3.7 175.5 1.0 NH1 A:ARG129 4.3 87.5 1.0 C5 A:KDJ201 4.6 129.9 1.0 O16 A:KDJ201 4.6 139.0 1.0 O26 A:KDJ201 4.6 142.6 1.0 CZ A:ARG129 4.8 85.7 1.0 CE A:LYS105 5.0 129.6 1.0 CD A:ARG129 5.0 78.5 1.0

Fluorine binding site 2 out of 2 in the Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with 5-PCF2AM-INSP5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with 5-PCF2AM-INSP5 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:165.6 occ:1.00 F65 A:KDJ201 0.0 165.6 1.0 C45 A:KDJ201 1.4 168.2 1.0 F55 A:KDJ201 2.2 171.5 1.0 C25 A:KDJ201 2.3 158.4 1.0 PB5 A:KDJ201 2.4 176.4 1.0 N15 A:KDJ201 2.6 140.7 1.0 O85 A:KDJ201 2.7 179.4 1.0 O A:HOH316 2.8 68.2 1.0 O75 A:KDJ201 3.0 175.5 1.0 NH2 A:ARG102 3.3 90.7 1.0 O35 A:KDJ201 3.5 164.4 1.0 NH1 A:ARG129 3.7 87.5 1.0 O95 A:KDJ201 3.7 177.5 1.0 C5 A:KDJ201 4.1 129.9 1.0 CZ A:ARG102 4.4 91.3 1.0 OD2 A:ASP100 4.6 71.8 1.0 CZ A:ARG129 4.7 85.7 1.0 C4 A:KDJ201 4.8 118.8 1.0 C6 A:KDJ201 4.8 131.0 1.0 CD A:ARG129 4.8 78.5 1.0 O14 A:KDJ201 4.8 109.2 1.0 O16 A:KDJ201 4.9 139.0 1.0 O34 A:KDJ201 4.9 107.2 1.0

M.A.Marquez-Monino, R.Ortega-Garcia, M.L.Shipton, E.Franco-Echevarria, A.M.Riley, J.Sanz-Aparicio, B.V.L.Potter, B.Gonzalez. Multiple Substrate Recognition By Yeast Diadenosine and Diphosphoinositol Polyphosphate Phosphohydrolase Through Phosphate Clamping. Sci Adv V. 7 2021.
ISSN: ESSN 2375-2548
PubMed: 33893105
DOI: 10.1126/SCIADV.ABF6744