Iron in PDB 6i7c: Dye Type Peroxidase Aa From Streptomyces Lividans: Imidazole Complex

The structure of Dye Type Peroxidase Aa From Streptomyces Lividans: Imidazole Complex, PDB code: 6i7c was solved by T.Moreno-Chicano, A.E.Ebrahim, J.A.R.Worrall, R.W.Strange, D.Axford, D.A.Sherrell, H.Sugimoto, K.Tono, S.Owada, H.Duyvesteyn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.30 / 1.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.480, 68.030, 73.530, 90.00, 105.57, 90.00
R / Rfree (%)	13.9 / 17.7

The binding sites of Iron atom in the Dye Type Peroxidase Aa From Streptomyces Lividans: Imidazole Complex (pdb code 6i7c). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Dye Type Peroxidase Aa From Streptomyces Lividans: Imidazole Complex, PDB code: 6i7c:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dye Type Peroxidase Aa From Streptomyces Lividans: Imidazole Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dye Type Peroxidase Aa From Streptomyces Lividans: Imidazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:21.3 occ:1.00 FE A:HEM501 0.0 21.3 1.0 NC A:HEM501 2.0 19.4 1.0 NA A:HEM501 2.0 23.3 1.0 NB A:HEM501 2.0 19.9 1.0 ND A:HEM501 2.1 20.1 1.0 NE2 A:HIS326 2.2 22.8 1.0 O A:HOH701 2.4 24.1 1.0 C1C A:HEM501 3.0 22.1 1.0 C4B A:HEM501 3.0 22.0 1.0 C1B A:HEM501 3.0 23.1 1.0 C4A A:HEM501 3.0 22.7 1.0 C1A A:HEM501 3.1 22.6 1.0 C4C A:HEM501 3.1 19.0 1.0 C4D A:HEM501 3.1 21.2 1.0 CD2 A:HIS326 3.1 23.1 1.0 C1D A:HEM501 3.1 21.2 1.0 HD2 A:HIS326 3.2 27.8 1.0 CE1 A:HIS326 3.3 22.2 1.0 CHC A:HEM501 3.4 22.9 1.0 CHA A:HEM501 3.4 21.8 1.0 CHB A:HEM501 3.4 21.1 1.0 CHD A:HEM501 3.5 21.5 1.0 HE1 A:HIS326 3.5 26.6 1.0 HH11 A:ARG342 3.8 30.1 1.0 NH1 A:ARG342 4.2 25.1 1.0 C2C A:HEM501 4.2 24.9 1.0 C2B A:HEM501 4.3 24.7 1.0 C3C A:HEM501 4.3 19.5 1.0 C3B A:HEM501 4.3 22.0 1.0 C3A A:HEM501 4.3 21.4 1.0 CG A:HIS326 4.3 20.7 1.0 C2A A:HEM501 4.3 23.4 1.0 C3D A:HEM501 4.3 20.9 1.0 ND1 A:HIS326 4.3 21.1 1.0 C2D A:HEM501 4.3 21.3 1.0 HHC A:HEM501 4.3 27.5 1.0 HH12 A:ARG342 4.4 30.1 1.0 HHA A:HEM501 4.4 26.2 1.0 HHB A:HEM501 4.4 25.3 1.0 O A:HOH609 4.4 33.1 1.0 HHD A:HEM501 4.4 25.8 1.0 HE1 A:PHE363 4.5 29.4 1.0 HD2 A:ARG342 4.5 26.2 1.0 HD3 A:ARG342 4.5 26.2 1.0 OD1 A:ASP239 4.8 31.6 1.0 CD A:ARG342 4.9 21.9 1.0 HE1 A:PHE297 4.9 26.8 1.0 HD22 A:LEU386 5.0 31.9 1.0

Iron binding site 2 out of 2 in the Dye Type Peroxidase Aa From Streptomyces Lividans: Imidazole Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dye Type Peroxidase Aa From Streptomyces Lividans: Imidazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:19.6 occ:1.00 FE B:HEM503 0.0 19.6 1.0 NB B:HEM503 2.0 20.6 1.0 ND B:HEM503 2.0 19.3 1.0 NA B:HEM503 2.0 18.3 1.0 NC B:HEM503 2.1 19.7 1.0 NE2 B:HIS326 2.1 21.0 1.0 N1 B:IMD501 2.2 22.8 1.0 C4B B:HEM503 3.0 20.7 1.0 C1B B:HEM503 3.0 21.4 1.0 C1D B:HEM503 3.0 20.9 1.0 C4A B:HEM503 3.0 19.9 1.0 C4D B:HEM503 3.0 20.6 1.0 CD2 B:HIS326 3.0 22.2 1.0 C1A B:HEM503 3.1 22.8 1.0 C4C B:HEM503 3.1 21.2 1.0 C1C B:HEM503 3.1 20.4 1.0 C5 B:IMD501 3.1 21.1 1.0 CE1 B:HIS326 3.2 21.4 1.0 HD2 B:HIS326 3.2 26.6 1.0 H5 B:IMD501 3.2 25.3 1.0 C2 B:IMD501 3.2 21.1 1.0 CHC B:HEM503 3.4 20.3 1.0 HE1 B:HIS326 3.4 25.6 1.0 CHB B:HEM503 3.4 19.9 1.0 CHD B:HEM503 3.4 19.6 1.0 CHA B:HEM503 3.4 20.6 1.0 H2 B:IMD501 3.5 25.3 1.0 HH11 B:ARG342 4.2 29.9 1.0 CG B:HIS326 4.2 18.4 1.0 C2B B:HEM503 4.2 21.0 1.0 C3B B:HEM503 4.2 17.6 1.0 ND1 B:HIS326 4.2 20.9 1.0 C2D B:HEM503 4.2 20.3 1.0 C3A B:HEM503 4.3 21.1 1.0 C3D B:HEM503 4.3 18.7 1.0 C2A B:HEM503 4.3 21.0 1.0 C4 B:IMD501 4.3 22.1 1.0 C3C B:HEM503 4.3 20.6 1.0 C2C B:HEM503 4.3 21.1 1.0 N3 B:IMD501 4.3 23.0 1.0 HHC B:HEM503 4.4 24.4 1.0 HHB B:HEM503 4.4 23.8 1.0 HHD B:HEM503 4.4 23.6 1.0 HHA B:HEM503 4.4 24.7 1.0 NH1 B:ARG342 4.5 24.9 1.0 HH12 B:ARG342 4.6 29.9 1.0 HD3 B:ARG342 4.8 29.4 1.0 HE1 B:PHE297 4.8 26.4 1.0 HD2 B:ARG342 4.9 29.4 1.0

T.Moreno-Chicano, A.Ebrahim, D.Axford, M.V.Appleby, J.H.Beale, A.K.Chaplin, H.M.E.Duyvesteyn, R.A.Ghiladi, S.Owada, D.A.Sherrell, R.W.Strange, H.Sugimoto, K.Tono, J.A.R.Worrall, R.L.Owen, M.A.Hough. High-Throughput Structures of Protein-Ligand Complexes at Room Temperature Using Serial Femtosecond Crystallography. Iucrj V. 6 1074 2019.
ISSN: ESSN 2052-2525
PubMed: 31709063
DOI: 10.1107/S2052252519011655