Iron in PDB 3sj5: I5F Mutant Structure of T. Tengcongensis H-Nox

The structure of I5F Mutant Structure of T. Tengcongensis H-Nox, PDB code: 3sj5 was solved by E.E.Weinert, C.M.Phillips-Piro, R.Tran, R.A.Mathies, M.A.Marletta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.20 / 1.67
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.585, 67.116, 66.428, 90.00, 92.01, 90.00
R / Rfree (%)	19.7 / 24.7

The binding sites of Iron atom in the I5F Mutant Structure of T. Tengcongensis H-Nox (pdb code 3sj5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the I5F Mutant Structure of T. Tengcongensis H-Nox, PDB code: 3sj5:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the I5F Mutant Structure of T. Tengcongensis H-Nox


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of I5F Mutant Structure of T. Tengcongensis H-Nox within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:15.4 occ:1.00 FE A:HEM500 0.0 15.4 1.0 NB A:HEM500 2.0 15.4 1.0 NA A:HEM500 2.0 13.8 1.0 NC A:HEM500 2.0 13.5 1.0 NE2 A:HIS102 2.0 12.7 1.0 ND A:HEM500 2.1 17.5 1.0 O A:HOH339 2.2 16.0 1.0 CE1 A:HIS102 3.0 13.3 1.0 C4A A:HEM500 3.0 14.8 1.0 C1B A:HEM500 3.0 20.1 1.0 C4C A:HEM500 3.0 15.1 1.0 CD2 A:HIS102 3.0 15.1 1.0 C1A A:HEM500 3.0 13.8 1.0 C1C A:HEM500 3.0 12.8 1.0 C4B A:HEM500 3.0 12.1 1.0 C1D A:HEM500 3.0 11.6 1.0 C4D A:HEM500 3.1 12.5 1.0 CHB A:HEM500 3.3 16.9 1.0 CHD A:HEM500 3.4 13.5 1.0 CHC A:HEM500 3.4 12.4 1.0 CHA A:HEM500 3.4 13.4 1.0 ND1 A:HIS102 4.1 14.4 1.0 CG A:HIS102 4.1 14.3 1.0 C3A A:HEM500 4.2 16.3 1.0 C2A A:HEM500 4.2 16.4 1.0 C3C A:HEM500 4.2 14.4 1.0 C2B A:HEM500 4.2 16.0 1.0 C2C A:HEM500 4.2 14.5 1.0 C3B A:HEM500 4.3 17.2 1.0 C2D A:HEM500 4.3 13.4 1.0 C3D A:HEM500 4.3 16.9 1.0 CZ A:PHE5 4.6 30.5 0.5 CD1 A:LEU144 4.6 15.5 1.0 CE1 A:PHE78 4.6 21.4 0.5 CZ A:PHE78 5.0 16.6 0.6 CE1 A:PHE5 5.0 27.8 0.5

Iron binding site 2 out of 2 in the I5F Mutant Structure of T. Tengcongensis H-Nox


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of I5F Mutant Structure of T. Tengcongensis H-Nox within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:17.5 occ:1.00 FE B:HEM502 0.0 17.5 1.0 NA B:HEM502 2.0 19.6 1.0 NB B:HEM502 2.0 17.3 1.0 NC B:HEM502 2.0 16.7 1.0 NE2 B:HIS102 2.0 15.8 1.0 ND B:HEM502 2.0 13.9 1.0 O B:HOH190 2.1 22.2 1.0 CE1 B:HIS102 3.0 15.0 1.0 C4A B:HEM502 3.0 19.9 1.0 C1A B:HEM502 3.0 19.3 1.0 C1B B:HEM502 3.0 21.4 1.0 C4D B:HEM502 3.0 17.8 1.0 C4B B:HEM502 3.0 15.0 1.0 C1D B:HEM502 3.0 16.8 1.0 C1C B:HEM502 3.0 17.1 1.0 C4C B:HEM502 3.1 15.2 1.0 CD2 B:HIS102 3.1 17.3 1.0 CHB B:HEM502 3.4 22.0 1.0 CHA B:HEM502 3.4 20.4 1.0 CHC B:HEM502 3.4 17.4 1.0 CHD B:HEM502 3.4 16.3 1.0 ND1 B:HIS102 4.1 18.2 1.0 CG B:HIS102 4.2 14.9 1.0 C3A B:HEM502 4.2 18.8 1.0 C2A B:HEM502 4.2 18.4 1.0 C2D B:HEM502 4.2 14.6 1.0 C2B B:HEM502 4.2 17.0 1.0 C3B B:HEM502 4.2 19.1 1.0 C3D B:HEM502 4.3 13.1 1.0 C3C B:HEM502 4.3 15.9 1.0 C2C B:HEM502 4.3 15.3 1.0 CD1 B:LEU144 4.7 16.8 1.0 CE2 B:PHE78 4.7 22.4 0.4 CZ B:PHE78 4.8 21.4 0.6

E.E.Weinert, C.M.Phillips-Piro, R.Tran, R.A.Mathies, M.A.Marletta. Controlling Conformational Flexibility of An O2-Binding H-Nox Domain. Biochemistry V. 50 6832 2011.
ISSN: ISSN 0006-2960
PubMed: 21721586
DOI: 10.1021/BI200788X