Barium in PDB 4ri9: FAN1 Nuclease Bound to 5' Phosphorylated P(Dt)/3'(Dt-Dt-Dt-Dt-Dt-Dt- Dt-Dt) Double Flap Dna

All present enzymatic activity of FAN1 Nuclease Bound to 5' Phosphorylated P(Dt)/3'(Dt-Dt-Dt-Dt-Dt-Dt- Dt-Dt) Double Flap Dna:
3.1.4.1;

The structure of FAN1 Nuclease Bound to 5' Phosphorylated P(Dt)/3'(Dt-Dt-Dt-Dt-Dt-Dt- Dt-Dt) Double Flap Dna, PDB code: 4ri9 was solved by N.P.Pavletich, R.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.865, 211.574, 69.273, 90.00, 99.15, 90.00
R / Rfree (%)	22.7 / 26.6

The binding sites of Barium atom in the FAN1 Nuclease Bound to 5' Phosphorylated P(Dt)/3'(Dt-Dt-Dt-Dt-Dt-Dt- Dt-Dt) Double Flap Dna (pdb code 4ri9). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the FAN1 Nuclease Bound to 5' Phosphorylated P(Dt)/3'(Dt-Dt-Dt-Dt-Dt-Dt- Dt-Dt) Double Flap Dna, PDB code: 4ri9:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the FAN1 Nuclease Bound to 5' Phosphorylated P(Dt)/3'(Dt-Dt-Dt-Dt-Dt-Dt- Dt-Dt) Double Flap Dna


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of FAN1 Nuclease Bound to 5' Phosphorylated P(Dt)/3'(Dt-Dt-Dt-Dt-Dt-Dt- Dt-Dt) Double Flap Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1101 b:71.2 occ:1.00 OD1 A:ASP960 2.6 68.0 1.0 OE2 A:GLU975 2.7 62.6 1.0 OD2 A:ASP960 2.7 66.2 1.0 O A:VAL976 2.8 66.0 1.0 CG A:ASP960 3.0 64.8 1.0 NZ A:LYS977 3.1 73.8 1.0 CD A:GLU975 3.7 62.5 1.0 OE2 A:GLU815 3.8 80.4 1.0 C A:VAL976 3.9 60.6 1.0 OP1 S:DC4 4.0 98.5 1.0 OE1 A:GLU975 4.2 65.7 1.0 CE A:LYS977 4.2 74.3 1.0 CB A:ASP960 4.5 60.3 1.0 NE2 A:GLN987 4.6 57.9 1.0 CB A:VAL976 4.6 53.2 1.0 OD2 A:ASP981 4.6 84.7 1.0 CA A:VAL976 4.6 55.9 1.0 N A:VAL976 4.7 55.0 1.0 OD1 A:ASP981 4.7 86.9 1.0 CD A:LYS977 4.7 71.4 1.0 CG A:GLU975 4.9 59.6 1.0 N A:LYS977 4.9 63.8 1.0 CD A:GLU815 5.0 81.8 1.0

Barium binding site 2 out of 2 in the FAN1 Nuclease Bound to 5' Phosphorylated P(Dt)/3'(Dt-Dt-Dt-Dt-Dt-Dt- Dt-Dt) Double Flap Dna


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of FAN1 Nuclease Bound to 5' Phosphorylated P(Dt)/3'(Dt-Dt-Dt-Dt-Dt-Dt- Dt-Dt) Double Flap Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba1101 b:74.0 occ:1.00 O B:VAL976 2.7 65.3 1.0 OE2 B:GLU975 2.7 69.5 1.0 OP1 W:DC4 2.8 99.5 1.0 OD2 B:ASP960 2.8 66.0 1.0 OD1 B:ASP960 2.8 63.4 1.0 NZ B:LYS977 3.0 69.8 1.0 CG B:ASP960 3.1 61.7 1.0 CD B:GLU975 3.8 68.0 1.0 OE2 B:GLU815 3.8 84.5 1.0 C B:VAL976 3.9 63.2 1.0 P W:DC4 4.0 0.8 1.0 CE B:LYS977 4.2 69.5 1.0 OE1 B:GLU975 4.2 70.2 1.0 OD2 B:ASP981 4.5 88.9 1.0 OP2 W:DC4 4.5 0.6 1.0 NE2 B:GLN987 4.5 52.1 1.0 CB B:ASP960 4.6 57.3 1.0 CD B:LYS977 4.6 68.7 1.0 OD1 B:ASP981 4.6 89.1 1.0 CA B:VAL976 4.6 60.9 1.0 CB B:VAL976 4.7 59.2 1.0 N B:VAL976 4.7 59.8 1.0 O5' W:DC4 4.8 0.5 1.0 N B:LYS977 4.9 65.0 1.0 CG B:GLU975 4.9 65.1 1.0 CG B:ASP981 5.0 89.5 1.0 CD B:GLU815 5.0 84.9 1.0

R.Wang, N.S.Persky, B.Yoo, O.Ouerfelli, A.Smogorzewska, S.J.Elledge, N.P.Pavletich. Dna Repair. Mechanism of Dna Interstrand Cross-Link Processing By Repair Nuclease FAN1. Science V. 346 1127 2014.
ISSN: ISSN 0036-8075
PubMed: 25430771
DOI: 10.1126/SCIENCE.1258973