Fluorine in PDB 1nne: Crystal Structure of the Muts-ADPBEF3-Dna Complex

The structure of Crystal Structure of the Muts-ADPBEF3-Dna Complex, PDB code: 1nne was solved by E.Alani, J.Y.Lee, M.J.Schofield, A.W.Kijas, P.Hsieh, W.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 3.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	103.442, 113.224, 160.284, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.9

The binding sites of Fluorine atom in the Crystal Structure of the Muts-ADPBEF3-Dna Complex (pdb code 1nne). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of the Muts-ADPBEF3-Dna Complex, PDB code: 1nne:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Crystal Structure of the Muts-ADPBEF3-Dna Complex


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 the Muts-ADPBEF3-Dna Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F998 b:22.8 occ:1.00 F1 A:BEF998 0.0 22.8 1.0 BE A:BEF998 1.5 24.8 1.0 F2 A:BEF998 2.5 29.8 1.0 F3 A:BEF998 2.6 23.4 1.0 O3B A:ADP999 2.6 23.9 1.0 OG A:SER590 2.9 16.7 1.0 O2A A:ADP999 3.2 19.1 1.0 PB A:ADP999 3.4 20.6 1.0 O2B A:ADP999 3.5 21.3 1.0 CB A:SER590 3.6 22.1 1.0 O A:HOH1000 3.9 30.0 1.0 O3A A:ADP999 3.9 20.4 1.0 PA A:ADP999 3.9 20.3 1.0 O A:HOH1001 4.0 0.6 1.0 OD1 A:ASP662 4.2 13.1 1.0 C2 B:EDO853 4.5 49.4 1.0 O1A A:ADP999 4.6 27.3 1.0 C1 B:EDO853 4.6 47.5 1.0 O1B A:ADP999 4.7 18.6 1.0 CA A:SER590 4.9 22.2 1.0 N A:SER590 4.9 19.8 1.0

Fluorine binding site 2 out of 6 in the Crystal Structure of the Muts-ADPBEF3-Dna Complex


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 the Muts-ADPBEF3-Dna Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F998 b:29.8 occ:1.00 F2 A:BEF998 0.0 29.8 1.0 BE A:BEF998 1.6 24.8 1.0 F1 A:BEF998 2.5 22.8 1.0 O3B A:ADP999 2.5 23.9 1.0 F3 A:BEF998 2.5 23.4 1.0 O2B A:ADP999 2.8 21.3 1.0 ND2 A:ASN585 2.9 51.2 1.0 PB A:ADP999 3.2 20.6 1.0 O A:HOH1000 3.5 30.0 1.0 CG A:ASN585 3.6 45.0 1.0 OE2 A:GLU663 3.8 32.5 1.0 C1 B:EDO853 4.0 47.5 1.0 C2 B:EDO853 4.2 49.4 1.0 OD1 A:ASN585 4.2 52.5 1.0 O1B A:ADP999 4.3 18.6 1.0 O3A A:ADP999 4.4 20.4 1.0 CB A:ASN585 4.4 38.4 1.0 O2 B:EDO853 4.4 50.2 1.0 OG A:SER590 4.5 16.7 1.0 CA A:ASN585 4.7 29.7 1.0 CD A:LYS589 4.8 14.0 1.0 O2A A:ADP999 4.9 19.1 1.0 CD A:GLU663 4.9 29.9 1.0 NZ A:LYS589 4.9 19.5 1.0 CE A:LYS589 4.9 13.0 1.0

Fluorine binding site 3 out of 6 in the Crystal Structure of the Muts-ADPBEF3-Dna Complex


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 the Muts-ADPBEF3-Dna Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F998 b:23.4 occ:1.00 F3 A:BEF998 0.0 23.4 1.0 BE A:BEF998 1.6 24.8 1.0 F2 A:BEF998 2.5 29.8 1.0 O3B A:ADP999 2.6 23.9 1.0 F1 A:BEF998 2.6 22.8 1.0 OG A:SER590 2.6 16.7 1.0 OD2 A:ASP662 2.9 13.0 1.0 OD1 A:ASP662 3.1 13.1 1.0 OE2 A:GLU663 3.3 32.5 1.0 CG A:ASP662 3.3 12.5 1.0 CB A:SER590 3.9 22.1 1.0 CD A:GLU663 4.1 29.9 1.0 PB A:ADP999 4.1 20.6 1.0 CG A:GLU663 4.1 26.5 1.0 CD A:LYS589 4.4 14.0 1.0 CB A:LYS589 4.4 20.5 1.0 O2B A:ADP999 4.5 21.3 1.0 N A:SER590 4.6 19.8 1.0 ND2 A:ASN585 4.7 51.2 1.0 CA A:SER590 4.8 22.2 1.0 CB A:ASP662 4.8 12.5 1.0 CG A:LYS589 4.9 16.9 1.0 O1B A:ADP999 4.9 18.6 1.0 CB A:ALA694 5.0 1.8 1.0

Fluorine binding site 4 out of 6 in the Crystal Structure of the Muts-ADPBEF3-Dna Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the Muts-ADPBEF3-Dna Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F1998 b:19.3 occ:1.00 F1 B:BEF1998 0.0 19.3 1.0 BE B:BEF1998 1.5 21.0 1.0 F2 B:BEF1998 2.5 25.1 1.0 OG B:SER1590 2.5 24.4 1.0 F3 B:BEF1998 2.6 18.4 1.0 O3B B:ADP1999 2.7 22.6 1.0 CB B:SER1590 2.9 20.8 1.0 O2A B:ADP1999 3.3 23.2 1.0 PB B:ADP1999 3.6 21.5 1.0 O2B B:ADP1999 3.8 20.5 1.0 PA B:ADP1999 4.0 21.2 1.0 O3A B:ADP1999 4.1 21.7 1.0 CA B:SER1590 4.2 21.2 1.0 OD2 B:ASP1662 4.2 20.0 1.0 O1A B:ADP1999 4.3 23.2 1.0 N B:SER1590 4.4 20.1 1.0 O1B B:ADP1999 4.9 17.3 1.0

Fluorine binding site 5 out of 6 in the Crystal Structure of the Muts-ADPBEF3-Dna Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the Muts-ADPBEF3-Dna Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F1998 b:25.1 occ:1.00 F2 B:BEF1998 0.0 25.1 1.0 BE B:BEF1998 1.6 21.0 1.0 O3B B:ADP1999 2.4 22.6 1.0 F3 B:BEF1998 2.5 18.4 1.0 F1 B:BEF1998 2.5 19.3 1.0 O2B B:ADP1999 2.7 20.5 1.0 PB B:ADP1999 3.1 21.5 1.0 ND2 B:ASN1585 3.5 23.7 1.0 O A:HOH1044 3.7 5.2 1.0 CG B:ASN1585 3.8 23.5 1.0 OG B:SER1590 4.1 24.4 1.0 OD1 B:ASN1585 4.2 25.2 1.0 O3A B:ADP1999 4.3 21.7 1.0 O1B B:ADP1999 4.3 17.3 1.0 CB B:ASN1585 4.4 23.2 1.0 O2A B:ADP1999 4.5 23.2 1.0 NZ B:LYS1589 4.8 8.5 1.0 CB B:SER1590 4.9 20.8 1.0 CA B:ASN1585 4.9 22.2 1.0 OE2 B:GLU1663 4.9 39.2 1.0 PA B:ADP1999 5.0 21.2 1.0

Fluorine binding site 6 out of 6 in the Crystal Structure of the Muts-ADPBEF3-Dna Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the Muts-ADPBEF3-Dna Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F1998 b:18.4 occ:1.00 F3 B:BEF1998 0.0 18.4 1.0 BE B:BEF1998 1.6 21.0 1.0 OG B:SER1590 2.3 24.4 1.0 F2 B:BEF1998 2.5 25.1 1.0 F1 B:BEF1998 2.6 19.3 1.0 O3B B:ADP1999 2.6 22.6 1.0 OE2 B:GLU1663 3.1 39.2 1.0 OD1 B:ASP1662 3.2 15.6 1.0 OD2 B:ASP1662 3.4 20.0 1.0 CB B:SER1590 3.6 20.8 1.0 CG B:ASP1662 3.6 16.8 1.0 CD B:GLU1663 4.0 34.9 1.0 PB B:ADP1999 4.1 21.5 1.0 OE1 B:GLU1663 4.4 38.6 1.0 N B:SER1590 4.4 20.1 1.0 O2B B:ADP1999 4.5 20.5 1.0 CA B:SER1590 4.5 21.2 1.0 ND2 B:ASN1585 4.6 23.7 1.0 NZ B:LYS1589 4.8 8.5 1.0 O A:HOH1044 4.9 5.2 1.0 O1B B:ADP1999 5.0 17.3 1.0

E.Alani, J.Y.Lee, M.J.Schofield, A.W.Kijas, P.Hsieh, W.Yang. Crystal Structure and Biochemical Analysis of the Muts-Adp-Beryllium Fluoride Complex Suggests A Conserved Mechanism For Atp Interactions in Mismatch Repair J.Biol.Chem. V. 278 16088 2003.
ISSN: ISSN 0021-9258
PubMed: 12582174
DOI: 10.1074/JBC.M213193200