Iron in PDB 3u44: Crystal Structure of Addab-Dna Complex

All present enzymatic activity of Crystal Structure of Addab-Dna Complex:
3.6.4.12;

The structure of Crystal Structure of Addab-Dna Complex, PDB code: 3u44 was solved by K.Saikrishnan, W.Krajewski, D.Wigley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 3.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	100.230, 138.960, 102.970, 90.00, 105.33, 90.00
R / Rfree (%)	23.3 / 28.4

The binding sites of Iron atom in the Crystal Structure of Addab-Dna Complex (pdb code 3u44). 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 Complex, PDB code: 3u44:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Addab-Dna Complex


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 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1167 b:82.2 occ:0.80 FE1 B:SF41167 0.0 82.2 0.8 S3 B:SF41167 2.3 82.0 0.8 S2 B:SF41167 2.3 69.1 0.8 S4 B:SF41167 2.3 69.3 0.8 SG B:CYS801 2.3 81.5 1.0 FE2 B:SF41167 2.6 77.4 0.8 FE3 B:SF41167 2.6 69.4 0.8 FE4 B:SF41167 2.6 0.2 0.8 CB B:CYS801 3.5 73.8 1.0 S1 B:SF41167 3.9 84.3 0.8 CG B:PRO1112 4.3 70.2 1.0 SG B:CYS1130 4.3 79.0 1.0 N B:SER804 4.4 65.1 1.0 CB B:SER804 4.5 59.2 1.0 CB B:PHE803 4.6 61.8 1.0 CB B:CYS1130 4.6 61.1 1.0 SG B:CYS1124 4.7 70.6 1.0 CA B:CYS801 4.9 63.7 1.0 CA B:SER804 4.9 60.2 1.0 SG B:CYS1121 4.9 79.9 1.0 CD B:PRO1112 4.9 69.5 1.0 CG2 B:ILE1110 5.0 62.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Addab-Dna Complex


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 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1167 b:77.4 occ:0.80 FE2 B:SF41167 0.0 77.4 0.8 S4 B:SF41167 2.3 69.3 0.8 S1 B:SF41167 2.3 84.3 0.8 S3 B:SF41167 2.3 82.0 0.8 SG B:CYS1121 2.3 79.9 1.0 FE3 B:SF41167 2.6 69.4 0.8 FE1 B:SF41167 2.6 82.2 0.8 FE4 B:SF41167 2.6 0.2 0.8 CG B:PRO1112 3.3 70.2 1.0 CB B:CYS1121 3.8 86.7 1.0 CB B:PRO1112 3.8 81.1 1.0 S2 B:SF41167 3.9 69.1 0.8 CA B:CYS1121 4.2 92.6 1.0 SG B:CYS801 4.3 81.5 1.0 SG B:CYS1130 4.4 79.0 1.0 N B:CYS1121 4.5 94.8 1.0 CG B:PRO1120 4.6 83.4 1.0 CD B:PRO1112 4.6 69.5 1.0 SG B:CYS1124 4.8 70.6 1.0 CA B:PRO1112 4.8 80.4 1.0 C B:PRO1120 5.0 94.6 1.0 CB B:CYS801 5.0 73.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Addab-Dna Complex


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 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1167 b:69.4 occ:0.80 FE3 B:SF41167 0.0 69.4 0.8 S4 B:SF41167 2.3 69.3 0.8 S2 B:SF41167 2.3 69.1 0.8 S1 B:SF41167 2.3 84.3 0.8 SG B:CYS1130 2.3 79.0 1.0 FE4 B:SF41167 2.6 0.2 0.8 FE2 B:SF41167 2.6 77.4 0.8 FE1 B:SF41167 2.6 82.2 0.8 CB B:CYS1130 3.5 61.1 1.0 CA B:LYS1127 3.6 62.6 1.0 S3 B:SF41167 3.8 82.0 0.8 N B:LYS1127 4.0 63.4 1.0 SG B:CYS1124 4.1 70.6 1.0 O B:PHE1126 4.1 58.8 1.0 C B:PHE1126 4.2 60.6 1.0 SG B:CYS1121 4.3 79.9 1.0 CB B:LYS1127 4.3 63.4 1.0 C B:LYS1127 4.6 61.5 1.0 O B:LYS1127 4.7 56.6 1.0 CA B:CYS1130 4.8 58.6 1.0 SG B:CYS801 4.9 81.5 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Addab-Dna Complex


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 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1167 b:0.2 occ:0.80 FE4 B:SF41167 0.0 0.2 0.8 S1 B:SF41167 2.3 84.3 0.8 S3 B:SF41167 2.3 82.0 0.8 S2 B:SF41167 2.3 69.1 0.8 SG B:CYS1124 2.3 70.6 1.0 FE3 B:SF41167 2.6 69.4 0.8 FE1 B:SF41167 2.6 82.2 0.8 FE2 B:SF41167 2.6 77.4 0.8 CB B:CYS1124 3.3 95.3 1.0 S4 B:SF41167 3.8 69.3 0.8 SG B:CYS1121 4.1 79.9 1.0 O B:PRO1120 4.4 83.2 1.0 CA B:CYS1121 4.5 92.6 1.0 SG B:CYS801 4.5 81.5 1.0 CB B:SER804 4.6 59.2 1.0 CA B:CYS1124 4.7 92.2 1.0 C B:PRO1120 4.8 94.6 1.0 CB B:CYS1121 4.8 86.7 1.0 N B:LYS1127 4.8 63.4 1.0 N B:CYS1121 4.9 94.8 1.0 SG B:CYS1130 4.9 79.0 1.0 CB B:CYS801 4.9 73.8 1.0

K.Saikrishnan, J.T.Yeeles, N.S.Gilhooly, W.W.Krajewski, M.S.Dillingham, D.B.Wigley. Insights Into Chi Recognition From the Structure of An Addab-Type Helicase-Nuclease Complex. Embo J. V. 31 1568 2012.
ISSN: ISSN 0261-4189
PubMed: 22307084
DOI: 10.1038/EMBOJ.2012.9