Iron in PDB 8q1w: TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913

The structure of TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913, PDB code: 8q1w was solved by B.S.Rajagopal, G.R.Hemsworth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.46 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	38.548, 38.659, 44.049, 90.48, 90.59, 94.48
R / Rfree (%)	19.5 / 24

The structure of TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 also contains other interesting chemical elements:

Sodium	(Na)	3 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Iron atom in the TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 (pdb code 8q1w). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913, PDB code: 8q1w:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:5.4 occ:1.00 FE A:HEC101 0.0 5.4 1.0 HE2 A:HIS24 1.1 7.4 0.0 NE2 A:HIS24 2.0 6.2 1.0 NC A:HEC101 2.0 5.8 1.0 NB A:HEC101 2.0 5.9 1.0 NA A:HEC101 2.1 6.6 1.0 ND A:HEC101 2.1 6.5 1.0 SD A:MET56 2.3 6.0 1.0 CE1 A:HIS24 2.9 6.5 1.0 CD2 A:HIS24 3.0 6.5 1.0 C4C A:HEC101 3.0 6.0 1.0 C4B A:HEC101 3.0 6.2 1.0 C4A A:HEC101 3.0 6.5 1.0 C1D A:HEC101 3.1 6.7 1.0 C1B A:HEC101 3.1 6.0 1.0 C1C A:HEC101 3.1 6.1 1.0 HG3 A:MET56 3.1 6.4 1.0 C1A A:HEC101 3.1 7.1 1.0 C4D A:HEC101 3.1 7.3 1.0 HE1 A:HIS24 3.1 6.5 1.0 HD2 A:HIS24 3.2 6.5 1.0 CG A:MET56 3.3 6.5 1.0 CHC A:HEC101 3.4 6.0 1.0 CHB A:HEC101 3.4 6.1 1.0 CHD A:HEC101 3.4 6.2 1.0 CE A:MET56 3.4 6.2 1.0 CHA A:HEC101 3.5 7.0 1.0 HE2 A:MET56 3.5 6.2 1.0 HE3 A:MET56 3.6 6.2 1.0 HG2 A:MET56 4.0 6.5 1.0 HB3 A:MET56 4.0 6.7 1.0 ND1 A:HIS24 4.1 6.7 1.0 CG A:HIS24 4.1 6.9 1.0 C3B A:HEC101 4.3 6.5 1.0 HE1 A:MET56 4.3 6.2 1.0 C3C A:HEC101 4.3 6.5 1.0 CB A:MET56 4.3 6.6 1.0 C3A A:HEC101 4.4 7.0 1.0 C2C A:HEC101 4.4 6.3 1.0 HHC A:HEC101 4.4 6.1 1.0 C2B A:HEC101 4.4 6.1 1.0 HHD A:HEC101 4.4 6.3 1.0 C2D A:HEC101 4.4 7.5 1.0 HHB A:HEC101 4.4 6.2 1.0 C2A A:HEC101 4.4 8.3 1.0 C3D A:HEC101 4.4 8.3 1.0 HG3 A:GLN58 4.4 8.3 1.0 HHA A:HEC101 4.5 7.2 1.0 HD13 A:ILE34 4.6 10.6 1.0 HA A:PRO57 4.7 6.8 1.0 HD1 A:HIS24 4.8 7.8 0.0 HB2 A:CYS23 4.9 11.1 1.0 HA A:MET56 4.9 6.9 1.0 HB2 A:MET56 5.0 6.7 1.0

Iron binding site 2 out of 3 in the TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:5.0 occ:1.00 FE B:HEC101 0.0 5.0 1.0 HE2 B:HIS24 1.1 7.5 0.0 NE2 B:HIS24 2.0 5.9 1.0 NA B:HEC101 2.0 5.9 1.0 ND B:HEC101 2.1 5.9 1.0 NB B:HEC101 2.1 5.6 1.0 NC B:HEC101 2.1 5.7 1.0 SD B:MET56 2.3 4.6 1.0 CE1 B:HIS24 2.9 6.3 1.0 CD2 B:HIS24 3.0 6.2 1.0 C4A B:HEC101 3.0 6.1 1.0 C4B B:HEC101 3.0 5.9 1.0 C4C B:HEC101 3.0 6.1 1.0 C1D B:HEC101 3.0 6.2 1.0 C4D B:HEC101 3.1 6.5 1.0 C1B B:HEC101 3.1 5.7 1.0 C1A B:HEC101 3.1 6.5 1.0 C1C B:HEC101 3.1 6.0 1.0 HG3 B:MET56 3.1 5.4 1.0 HE1 B:HIS24 3.1 6.3 1.0 HD2 B:HIS24 3.2 6.3 1.0 CG B:MET56 3.3 5.4 1.0 CE B:MET56 3.4 4.7 1.0 CHB B:HEC101 3.4 5.8 1.0 CHD B:HEC101 3.4 6.2 1.0 HE2 B:MET56 3.4 4.7 1.0 CHC B:HEC101 3.5 6.0 1.0 CHA B:HEC101 3.5 6.3 1.0 HE3 B:MET56 3.5 4.7 1.0 HB3 B:MET56 4.0 5.9 1.0 HG2 B:MET56 4.1 5.4 1.0 ND1 B:HIS24 4.1 6.7 1.0 CG B:HIS24 4.1 6.7 1.0 HE1 B:MET56 4.2 4.7 1.0 CB B:MET56 4.3 5.8 1.0 C3B B:HEC101 4.3 6.3 1.0 C3C B:HEC101 4.3 6.5 1.0 C2D B:HEC101 4.3 6.9 1.0 C3A B:HEC101 4.4 6.5 1.0 HHB B:HEC101 4.4 5.9 1.0 C3D B:HEC101 4.4 7.5 1.0 HHD B:HEC101 4.4 6.2 1.0 C2A B:HEC101 4.4 7.3 1.0 C2B B:HEC101 4.4 5.8 1.0 C2C B:HEC101 4.4 6.3 1.0 HHC B:HEC101 4.4 6.0 1.0 HHA B:HEC101 4.4 6.5 1.0 HG3 B:GLN58 4.5 8.9 1.0 HD13 B:ILE34 4.6 9.3 1.0 HA B:PRO57 4.7 7.5 1.0 HD1 B:HIS24 4.9 8.3 0.0 HB2 B:MET56 4.9 5.9 1.0 HA B:MET56 5.0 6.7 1.0

Iron binding site 3 out of 3 in the TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of TTX183B - A C-Type Cytochrome Domain From the Teredinibacter Turnerae Protein TERTU_2913 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:4.9 occ:1.00 FE C:HEC101 0.0 4.9 1.0 HE2 C:HIS24 1.1 6.3 0.0 NE2 C:HIS24 2.0 5.0 1.0 NC C:HEC101 2.0 5.7 1.0 NB C:HEC101 2.0 5.5 1.0 ND C:HEC101 2.1 6.4 1.0 NA C:HEC101 2.1 6.0 1.0 SD C:MET56 2.3 5.2 1.0 CD2 C:HIS24 3.0 5.3 1.0 CE1 C:HIS24 3.0 5.1 1.0 C4B C:HEC101 3.0 5.9 1.0 C4C C:HEC101 3.0 6.0 1.0 C1D C:HEC101 3.0 6.7 1.0 C1B C:HEC101 3.1 5.6 1.0 C1C C:HEC101 3.1 5.9 1.0 C4A C:HEC101 3.1 6.2 1.0 C1A C:HEC101 3.1 6.8 1.0 C4D C:HEC101 3.1 7.1 1.0 HG3 C:MET56 3.1 5.8 1.0 HD2 C:HIS24 3.2 5.3 1.0 HE1 C:HIS24 3.2 5.2 1.0 CE C:MET56 3.3 5.3 1.0 HE2 C:MET56 3.3 5.3 1.0 CG C:MET56 3.3 5.9 1.0 CHD C:HEC101 3.4 6.3 1.0 CHC C:HEC101 3.4 6.0 1.0 HE3 C:MET56 3.4 5.3 1.0 CHB C:HEC101 3.4 5.7 1.0 CHA C:HEC101 3.5 6.8 1.0 HB3 C:MET56 4.0 6.3 1.0 HG2 C:MET56 4.0 5.8 1.0 ND1 C:HIS24 4.1 5.3 1.0 CG C:HIS24 4.1 5.6 1.0 HE1 C:MET56 4.2 5.2 1.0 C3B C:HEC101 4.3 6.2 1.0 C3C C:HEC101 4.3 6.2 1.0 CB C:MET56 4.3 6.2 1.0 HHD C:HEC101 4.3 6.4 1.0 C2D C:HEC101 4.4 7.6 1.0 C2B C:HEC101 4.4 5.7 1.0 C3A C:HEC101 4.4 6.7 1.0 C2C C:HEC101 4.4 6.0 1.0 C2A C:HEC101 4.4 7.6 1.0 HHC C:HEC101 4.4 6.0 1.0 C3D C:HEC101 4.4 8.2 1.0 HHB C:HEC101 4.4 5.8 1.0 HG3 C:GLN58 4.4 9.7 1.0 HHA C:HEC101 4.5 7.0 1.0 HD13 C:ILE34 4.6 10.6 1.0 HA C:PRO57 4.7 7.7 1.0 HD1 C:HIS24 4.9 6.8 0.0 HA C:MET56 4.9 6.8 1.0 HB3 C:CYS23 4.9 8.9 1.0 HB2 C:MET56 5.0 6.3 1.0

B.S.Rajagopal, N.Yates, J.Smith, A.Paradisi, C.Tetard-Jones, W.G.T.Willats, S.Marcus, P.J.Knox, M.Firdaus-Raih, B.Henrissat, G.J.Davies, P.H.Walton, A.Parkin, G.R.Hemsworth. Structural Dissection of Two Redox Proteins From the Shipworm Symbiont Teredinibacter Turnerae Iucrj 2024.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252524001386