Iodine in PDB 2ggq: Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii

All present enzymatic activity of Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii:
2.7.7.24;

The structure of Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii, PDB code: 2ggq was solved by V.Rajakannan, T.Mizushima, A.Suzuki, R.Masui, S.Kuramitsu, T.Yamane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	122.750, 122.750, 95.518, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 25.2

The binding sites of Iodine atom in the Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii (pdb code 2ggq). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii, PDB code: 2ggq:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:77.2 occ:1.00 OH A:TYR311 3.4 24.3 1.0 NZ A:LYS354 3.8 35.1 1.0 NH1 A:ARG278 3.9 17.8 1.0 NH2 A:ARG278 3.9 22.5 1.0 NZ A:LYS296 4.0 27.3 1.0 CE A:LYS354 4.1 36.5 1.0 ND2 A:ASN331 4.3 20.1 1.0 CD A:LYS296 4.4 26.2 1.0 CZ A:ARG278 4.4 21.9 1.0 O A:HOH685 4.4 41.9 1.0 CD A:LYS354 4.4 32.5 1.0 CZ A:TYR311 4.4 24.7 1.0 CE A:LYS296 4.7 26.8 1.0 OD1 A:ASN331 5.0 24.3 1.0

Iodine binding site 2 out of 3 in the Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii within 5.0Å range: probe atom residue distance (Å) B Occ A:I502 b:37.9 occ:1.00 N A:PHE334 3.6 31.4 1.0 CA A:ARG333 4.0 27.9 1.0 CD2 A:PHE334 4.0 36.8 1.0 CD A:PRO373 4.2 17.5 1.0 CD2 A:LEU372 4.3 25.0 1.0 C A:ARG333 4.3 29.2 1.0 CB A:ARG333 4.3 28.1 1.0 CG A:LEU372 4.4 21.6 1.0 CG A:ARG333 4.5 29.9 1.0 CB A:PHE334 4.5 33.7 1.0 CA A:PHE334 4.7 33.6 1.0 CG A:PHE334 4.8 35.2 1.0 CG A:PRO373 4.8 17.1 1.0 O A:HOH690 4.9 35.0 1.0 NH1 A:ARG333 4.9 34.0 1.0 O A:LEU332 5.0 26.5 1.0 CE2 A:PHE334 5.0 33.9 1.0

Iodine binding site 3 out of 3 in the Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii within 5.0Å range: probe atom residue distance (Å) B Occ A:I503 b:49.3 occ:1.00 CA A:ALA7 3.8 26.5 1.0 O A:LEU6 4.0 24.6 1.0 C A:GLY98 4.0 27.5 1.0 CE A:LYS23 4.1 30.4 1.0 C A:ALA7 4.1 27.0 1.0 N A:ASP99 4.1 27.3 1.0 N A:GLY9 4.1 32.5 1.0 CA A:GLY98 4.2 26.9 1.0 CB A:ASP99 4.2 28.9 1.0 N A:GLY98 4.4 26.4 1.0 CA A:GLY9 4.4 34.8 1.0 O A:ALA7 4.4 27.3 1.0 O A:GLY98 4.5 26.4 1.0 CG A:ASP99 4.5 31.2 1.0 C5M A:TTP500 4.5 38.8 1.0 N A:ALA8 4.5 27.2 1.0 CB A:ALA7 4.6 25.6 1.0 NZ A:LYS23 4.6 25.4 1.0 OD2 A:ASP99 4.7 32.7 1.0 CA A:ASP99 4.7 28.5 1.0 CB A:LYS23 4.7 25.9 1.0 CG A:LYS23 4.8 27.7 1.0 N A:ALA7 4.8 25.5 1.0 C A:LEU6 4.8 25.3 1.0 O1B A:TTP500 4.9 52.0 1.0 CD A:LYS23 4.9 27.7 1.0 OD1 A:ASP99 5.0 30.3 1.0

V.Rajakannan, T.Yamane. Complex of Hypothetical Glucose-1-Phosphate Thymidylyltransferase From Sulfolobus Tokodaii To Be Published.