Iron in PDB 4cej: Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution:
3.6.4.12;

The structure of Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution, PDB code: 4cej was solved by W.W.Krajewski, M.Wilkinson, X.Fu, N.B.Cronin, D.B.Wigley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.731 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.437, 152.941, 125.244, 90.00, 94.30, 90.00
R / Rfree (%)	20.27 / 24.34

The structure of Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution (pdb code 4cej). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution, PDB code: 4cej:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2160 b:0.8 occ:1.00 FE1 B:SF42160 0.0 0.8 1.0 S3 B:SF42160 2.2 0.6 1.0 S4 B:SF42160 2.2 0.2 1.0 S2 B:SF42160 2.2 86.7 1.0 SG B:CYS801 2.3 77.0 1.0 FE4 B:SF42160 3.1 0.4 1.0 FE3 B:SF42160 3.1 0.0 1.0 FE2 B:SF42160 3.1 0.6 1.0 CB B:CYS801 3.3 69.0 1.0 S1 B:SF42160 3.8 0.9 1.0 CG B:PRO1112 4.3 76.7 1.0 CB B:SER804 4.3 78.4 1.0 CG2 B:ILE1110 4.4 57.0 1.0 N B:SER804 4.4 75.6 1.0 CB B:PRO1112 4.6 89.0 1.0 CA B:CYS801 4.7 74.3 1.0 OG B:SER804 4.8 89.0 1.0 CB B:PHE803 4.8 68.2 1.0 N B:PRO1112 4.8 79.4 1.0 CA B:SER804 4.8 79.4 1.0 CA B:PRO1112 4.9 78.9 1.0 CD B:PRO1112 4.9 71.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2160 b:0.6 occ:1.00 FE2 B:SF42160 0.0 0.6 1.0 S4 B:SF42160 2.2 0.2 1.0 S3 B:SF42160 2.2 0.6 1.0 S1 B:SF42160 2.2 0.9 1.0 SG B:CYS1121 2.3 0.5 1.0 CB B:CYS1121 3.1 0.5 1.0 FE4 B:SF42160 3.1 0.4 1.0 FE1 B:SF42160 3.1 0.8 1.0 FE3 B:SF42160 3.1 0.0 1.0 CA B:CYS1121 3.3 0.1 1.0 S2 B:SF42160 3.8 86.7 1.0 N B:CYS1121 3.8 0.8 1.0 CB B:PRO1112 4.2 89.0 1.0 CG B:PRO1112 4.3 76.7 1.0 C B:CYS1121 4.6 0.5 1.0 C B:PRO1120 4.7 0.4 1.0 O B:CYS1121 4.8 0.5 1.0 CB B:CYS1124 4.8 96.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2160 b:0.0 occ:1.00 FE3 B:SF42160 0.0 0.0 1.0 S4 B:SF42160 2.2 0.2 1.0 S1 B:SF42160 2.2 0.9 1.0 S2 B:SF42160 2.2 86.7 1.0 SG B:CYS1130 2.3 81.3 1.0 CB B:CYS1130 2.9 62.1 1.0 FE4 B:SF42160 3.1 0.4 1.0 FE1 B:SF42160 3.1 0.8 1.0 FE2 B:SF42160 3.1 0.6 1.0 S3 B:SF42160 3.8 0.6 1.0 O B:PHE1126 3.9 75.0 1.0 CA B:LYS1127 4.1 63.6 1.0 CA B:CYS1130 4.4 67.9 1.0 C B:PHE1126 4.4 65.2 1.0 N B:LYS1127 4.5 64.6 1.0 CB B:PHE1132 4.6 59.3 1.0 CG2 B:ILE1110 4.7 57.0 1.0 N B:CYS1130 4.7 56.6 1.0 O B:LYS1127 4.8 69.9 1.0 C B:LYS1127 4.9 62.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2160 b:0.4 occ:1.00 FE4 B:SF42160 0.0 0.4 1.0 S2 B:SF42160 2.2 86.7 1.0 S1 B:SF42160 2.2 0.9 1.0 S3 B:SF42160 2.2 0.6 1.0 SG B:CYS1124 2.3 93.4 1.0 FE3 B:SF42160 3.1 0.0 1.0 FE1 B:SF42160 3.1 0.8 1.0 FE2 B:SF42160 3.1 0.6 1.0 CB B:CYS1124 3.1 96.1 1.0 S4 B:SF42160 3.8 0.2 1.0 CB B:SER804 3.9 78.4 1.0 CA B:CYS1124 4.6 99.1 1.0 CB B:PHE1126 4.6 51.0 1.0 C B:PHE1126 4.6 65.2 1.0 CA B:SER804 4.7 79.4 1.0 CA B:CYS1121 4.8 0.1 1.0 N B:PHE1126 4.8 64.2 1.0 N B:LYS1127 4.8 64.6 1.0 O B:PHE1126 4.8 75.0 1.0 SG B:CYS801 4.9 77.0 1.0 CA B:PHE1126 4.9 64.7 1.0 C B:CYS1124 4.9 76.5 1.0 CD2 B:PHE1126 4.9 53.1 1.0 OG B:SER804 5.0 89.0 1.0

W.W.Krajewski, X.Fu, M.Wilkinson, N.B.Cronin, M.S.Dillingham, D.B.Wigley. Structural Basis For Translocation By Addab Helicase-Nuclease and Its Arrest at Chi Sites. Nature V. 508 416 2014.
ISSN: ISSN 0028-0836
PubMed: 24670664
DOI: 10.1038/NATURE13037