Iodine in PDB 6krw: Crystal Structure of ATPTP1 at 1.4 Angstrom

All present enzymatic activity of Crystal Structure of ATPTP1 at 1.4 Angstrom:
3.1.3.48;

The structure of Crystal Structure of ATPTP1 at 1.4 Angstrom, PDB code: 6krw was solved by Y.Y.Zhao, Z.P.Luo, J.Wang, J.W.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.50 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.682, 42.213, 72.959, 90.00, 109.49, 90.00
R / Rfree (%)	13.3 / 16.6

The binding sites of Iodine atom in the Crystal Structure of ATPTP1 at 1.4 Angstrom (pdb code 6krw). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of ATPTP1 at 1.4 Angstrom, PDB code: 6krw:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of ATPTP1 at 1.4 Angstrom


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 ATPTP1 at 1.4 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:20.5 occ:0.85 N A:GLY308 3.5 17.5 1.0 O A:HOH639 3.5 23.5 1.0 N A:MET70 3.6 19.9 1.0 CD A:ARG303 3.9 17.9 1.0 CA A:GLY308 4.0 18.9 1.0 CA A:ARG69 4.0 22.0 1.0 O A:HOH626 4.0 24.0 1.0 CG A:ARG303 4.1 17.6 1.0 CB A:ARG303 4.1 17.1 1.0 CB A:ARG69 4.1 24.1 1.0 CG1 A:ILE307 4.2 20.2 1.0 CB A:MET70 4.3 19.2 1.0 NH1 A:ARG303 4.3 21.8 1.0 NE A:ARG303 4.4 17.1 1.0 C A:ARG69 4.4 21.3 1.0 O A:HOH764 4.5 50.8 1.0 CA A:MET70 4.5 18.0 1.0 CZ A:ARG303 4.6 20.2 1.0 C A:ILE307 4.6 17.0 1.0 CA A:ILE307 4.7 17.6 1.0 O A:MET70 4.7 20.6 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of ATPTP1 at 1.4 Angstrom


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 ATPTP1 at 1.4 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:I502 b:35.7 occ:0.40 O A:HOH695 3.5 46.7 1.0 NH1 A:ARG271 3.6 29.9 1.0 O A:HOH767 3.9 48.7 1.0 N A:ASP234 4.0 29.7 1.0 CB A:ASP168 4.0 72.7 1.0 OG1 A:THR164 4.2 30.4 1.0 CB A:ASP234 4.2 40.2 1.0 CA A:ASP168 4.4 58.7 1.0 N A:ARG165 4.4 31.9 1.0 CG A:LYS174 4.4 39.3 1.0 CB A:ARG165 4.4 33.5 1.0 O A:TRP232 4.4 30.9 1.0 CA A:PRO233 4.5 31.6 1.0 CE A:LYS174 4.6 82.2 1.0 CG A:ARG165 4.6 32.9 1.0 CZ A:ARG271 4.7 26.8 1.0 C A:PRO233 4.7 34.6 1.0 CA A:ASP234 4.7 31.8 1.0 CD A:ARG165 4.8 40.0 1.0 NH2 A:ARG271 4.8 25.7 1.0 CA A:ARG165 5.0 35.8 1.0 N A:ASP168 5.0 43.6 1.0 CD A:LYS174 5.0 51.2 1.0 O A:ARG165 5.0 36.4 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of ATPTP1 at 1.4 Angstrom


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 ATPTP1 at 1.4 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:I504 b:21.5 occ:0.15 CAC A:FLC503 0.3 43.3 0.8 OA2 A:FLC503 0.8 40.8 0.8 OA1 A:FLC503 1.3 34.4 0.8 CA A:FLC503 1.8 51.8 0.8 CB A:FLC503 2.8 45.3 0.8 CBC A:FLC503 3.0 41.0 0.8 OB2 A:FLC503 3.3 50.3 0.8 OHB A:FLC503 3.4 36.4 0.8 N A:HIS235 3.5 29.9 1.0 N A:ARG271 3.5 21.4 1.0 NE A:ARG271 3.6 26.1 1.0 OB1 A:FLC503 3.6 26.2 0.8 CA A:GLY270 3.7 20.8 1.0 NE2 A:GLN315 3.8 24.9 1.0 CG A:ARG271 3.8 23.6 1.0 ND1 A:HIS235 4.1 65.5 1.0 C A:GLY270 4.1 21.9 1.0 OD1 A:ASP234 4.1 83.5 1.0 CG A:FLC503 4.1 50.7 0.8 CA A:HIS235 4.1 31.8 1.0 N A:GLY270 4.1 21.0 1.0 CD A:ARG271 4.2 27.4 1.0 CE1 A:HIS235 4.3 56.9 1.0 CZ A:ARG271 4.3 26.8 1.0 CA A:ASP234 4.4 31.8 1.0 NH2 A:ARG271 4.4 25.7 1.0 C A:ASP234 4.4 29.9 1.0 CG A:HIS235 4.4 59.3 1.0 CB A:ARG271 4.5 20.7 1.0 CA A:ARG271 4.6 20.1 1.0 OG1 A:FLC503 4.7 57.1 0.8 CD A:GLN315 4.8 23.5 1.0 SG A:CYS265 4.8 23.1 1.0 NE2 A:HIS235 4.8 58.4 1.0 CGC A:FLC503 4.8 43.8 0.8 OE1 A:GLN315 4.8 25.4 1.0 CG A:GLN311 4.9 27.3 1.0 CD2 A:HIS235 4.9 54.7 1.0 CB A:HIS235 4.9 40.5 1.0 CG A:ASP234 4.9 74.9 1.0 CB A:GLN311 4.9 23.2 1.0

Y.Y.Zhao, H.J.Wang, J.Hu, J.Tang, W.H.Zhang, Q.Q.He, H.T.Deng, Z.P.Luo, J.Wang, Z.X.Wang, X.L.Wang, J.W.Wu. Crystal Structure of ATPTP1 at 1.4 Angstroms To Be Published.