Iron in PDB 7scp: The Crystal Structure of Scoe in Complex with Intermediate

The structure of The Crystal Structure of Scoe in Complex with Intermediate, PDB code: 7scp was solved by L.Cha, J.Chen, J.Zhou, W.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.89 / 1.99
Space group	P 42
Cell size a, b, c (Å), α, β, γ (°)	96.82, 96.82, 69.84, 90, 90, 90
R / Rfree (%)	22.7 / 25.3

The binding sites of Iron atom in the The Crystal Structure of Scoe in Complex with Intermediate (pdb code 7scp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the The Crystal Structure of Scoe in Complex with Intermediate, PDB code: 7scp:

Iron binding site 1 out of 1 in the The Crystal Structure of Scoe in Complex with Intermediate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Scoe in Complex with Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:62.5 occ:1.00 O A:HOH714 2.6 51.2 1.0 O A:HOH619 2.6 55.3 1.0 O A:HOH603 2.6 50.1 1.0 OD1 A:ASP134 2.7 37.0 1.0 NE2 A:HIS132 2.7 29.1 1.0 NE2 A:HIS295 2.7 30.4 1.0 O A:HOH693 2.7 37.4 1.0 CD2 A:HIS295 3.5 27.9 1.0 CE1 A:HIS132 3.5 26.1 1.0 CG A:ASP134 3.6 33.5 1.0 O5 A:8S6502 3.6 48.7 1.0 NH1 A:ARG310 3.7 40.8 1.0 CD2 A:HIS132 3.7 27.0 1.0 OD2 A:ASP134 3.8 37.6 1.0 CE1 A:HIS295 3.8 29.8 1.0 C4 A:8S6502 4.6 45.4 1.0 ND1 A:HIS132 4.7 29.3 1.0 CG A:HIS295 4.7 29.6 1.0 CA A:GLY128 4.7 33.9 1.0 CG A:HIS132 4.8 28.4 1.0 ND1 A:HIS295 4.8 31.2 1.0 C6 A:8S6502 4.9 42.3 1.0 O7 A:8S6502 4.9 44.9 1.0 CZ A:ARG310 5.0 39.2 1.0 CD A:ARG310 5.0 33.8 1.0 CB A:ASP134 5.0 31.7 1.0

T.Y.Chen, Z.Zheng, X.Zhang, J.Chen, L.Cha, Y.Tang, Y.Guo, J.Zhou, B.Wang, H.W.Liu, W.C.Chang. Deciphering the Reaction Pathway of Mononuclear Iron Enzyme-Catalyzed N-C Triple Bond Formation in Isocyanide Lipopeptide and Polyketide Biosynthesis Acs Catalysis V. 12 2270 2022.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.1C04869