Iodine in PDB 7cp7: Crystal Structure of Fqzb, Native Proteins

The structure of Crystal Structure of Fqzb, Native Proteins, PDB code: 7cp7 was solved by K.Hara, H.Hashimoto, T.Matsushita, S.Kishimoto, K.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.66 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.563, 68.35, 121.895, 90, 90, 90
R / Rfree (%)	22.1 / 27

The binding sites of Iodine atom in the Crystal Structure of Fqzb, Native Proteins (pdb code 7cp7). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Crystal Structure of Fqzb, Native Proteins, PDB code: 7cp7:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Crystal Structure of Fqzb, Native Proteins


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Fqzb, Native Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:I502 b:43.4 occ:1.00 N A:GLY331 3.6 26.6 1.0 C10 A:FAD501 3.6 36.1 1.0 N10 A:FAD501 3.7 39.0 1.0 CA A:PRO326 3.7 34.3 1.0 N A:GLY329 3.8 40.9 1.0 N1 A:FAD501 3.9 32.6 1.0 N A:GLN330 3.9 33.8 1.0 CG2 A:VAL328 3.9 35.0 1.0 C4X A:FAD501 4.0 35.1 1.0 C1' A:FAD501 4.0 36.6 1.0 CA A:GLY331 4.1 35.1 1.0 C9A A:FAD501 4.1 37.1 1.0 CA A:GLY329 4.2 37.4 1.0 O A:PHE325 4.3 45.8 1.0 CB A:TYR324 4.3 24.8 1.0 CB A:PRO326 4.4 41.6 1.0 N5 A:FAD501 4.4 36.5 1.0 C A:PRO326 4.4 38.9 1.0 N A:VAL327 4.4 40.5 1.0 C2 A:FAD501 4.4 36.1 1.0 C5X A:FAD501 4.4 33.7 1.0 N A:VAL328 4.4 38.4 1.0 C A:GLY329 4.5 36.2 1.0 N A:PRO326 4.5 41.2 1.0 C4 A:FAD501 4.6 39.4 1.0 C A:GLN330 4.6 37.3 1.0 CD2 A:TYR324 4.6 37.1 1.0 C A:VAL328 4.7 42.2 1.0 C A:PHE325 4.7 38.2 1.0 N3 A:FAD501 4.7 40.3 1.0 C9 A:FAD501 4.8 35.5 1.0 CA A:GLN330 4.8 38.0 1.0 CA A:VAL328 4.9 35.9 1.0

Iodine binding site 2 out of 6 in the Crystal Structure of Fqzb, Native Proteins


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Fqzb, Native Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:I503 b:135.4 occ:1.00 CA A:PRO367 4.1 36.5 1.0 CB A:PRO367 4.3 37.0 1.0 CG2 A:THR370 4.7 35.3 1.0 CB A:THR370 4.7 36.4 1.0 CE1 A:TYR366 4.7 31.4 1.0 O A:PRO367 4.7 42.2 1.0 CD1 A:TYR366 4.8 37.4 1.0 C A:PRO367 5.0 34.2 1.0 CG A:PRO367 5.0 37.9 1.0

Iodine binding site 3 out of 6 in the Crystal Structure of Fqzb, Native Proteins


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Fqzb, Native Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:I504 b:74.4 occ:1.00 O A:LYS46 4.0 37.6 1.0 CG A:LYS46 4.1 40.9 1.0 CD A:LYS46 4.2 41.3 1.0 C A:LYS46 4.3 36.0 1.0 CG1 A:VAL47 4.4 30.4 1.0 CB A:LYS46 4.5 34.0 1.0 CA A:VAL47 4.5 36.2 1.0 CE A:LYS46 4.5 40.9 1.0 N A:VAL47 4.6 31.5 1.0 NH1 A:ARG138 4.6 66.1 1.0

Iodine binding site 4 out of 6 in the Crystal Structure of Fqzb, Native Proteins


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Fqzb, Native Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:I505 b:94.1 occ:1.00 NH2 A:ARG148 3.4 38.3 1.0 NH1 A:ARG158 4.1 52.8 1.0 CD A:ARG158 4.2 40.4 1.0 CB A:ALA160 4.4 40.2 1.0 CZ A:ARG148 4.6 59.1 1.0 CG A:ARG158 5.0 38.5 1.0

Iodine binding site 5 out of 6 in the Crystal Structure of Fqzb, Native Proteins


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Fqzb, Native Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:I506 b:58.1 occ:1.00 ND2 A:ASN436 3.6 38.3 1.0 CB A:CYS411 3.6 43.3 1.0 NH1 A:ARG365 3.6 34.6 1.0 NE2 A:HIS409 3.6 53.5 1.0 CD A:ARG368 3.9 36.5 1.0 CA A:CYS411 3.9 46.9 1.0 CG2 A:ILE364 4.0 28.3 1.0 CD2 A:HIS409 4.0 44.2 1.0 CD2 A:TYR414 4.1 40.4 1.0 CD A:ARG365 4.2 33.9 1.0 CG2 A:VAL341 4.3 33.9 1.0 CB A:ASN436 4.3 40.7 1.0 CG A:ASN436 4.4 39.4 1.0 O A:ILE364 4.5 40.5 1.0 NE A:ARG368 4.5 37.7 1.0 CE2 A:TYR414 4.6 42.6 1.0 O A:CYS411 4.6 46.2 1.0 CZ A:ARG365 4.7 40.4 1.0 OE1 A:GLU337 4.8 45.3 1.0 C A:CYS411 4.8 47.1 1.0 CE1 A:HIS409 4.8 51.5 1.0 CG A:TYR414 4.9 40.8 1.0 NE A:ARG365 4.9 37.3 1.0 N A:CYS411 4.9 40.6 1.0

Iodine binding site 6 out of 6 in the Crystal Structure of Fqzb, Native Proteins


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Fqzb, Native Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:I507 b:102.3 occ:1.00 O A:ALA270 3.9 36.8 1.0 CA A:THR271 4.1 28.7 1.0 C A:ALA270 4.4 35.6 1.0 N A:THR271 4.5 29.4 1.0 O A:THR271 4.8 25.6 1.0 OG1 A:THR271 4.8 37.6 1.0 C A:THR271 4.9 32.3 1.0 CG A:PRO274 5.0 38.0 1.0

T.Matsushita, S.Kishimoto, K.Hara, H.Hashimoto, K.Watanabe. Structural and Functional Analyses of A Spiro-Carbon-Forming, Highly Promiscuous Epoxidase From Fungal Natural Product Biosynthesis. Biochemistry V. 59 4787 2020.
ISSN: ISSN 0006-2960
PubMed: 33332106
DOI: 10.1021/ACS.BIOCHEM.0C00896