Iodine in PDB 5t12: N-Terminal Domain of Enzyme 1 - Nitrogen

All present enzymatic activity of N-Terminal Domain of Enzyme 1 - Nitrogen:
2.7.3.9;

The structure of N-Terminal Domain of Enzyme 1 - Nitrogen, PDB code: 5t12 was solved by A.M.Stanley, I.Botos, S.K.Buchanan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.22 / 2.30
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	64.770, 64.770, 123.692, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 25.2

The binding sites of Iodine atom in the N-Terminal Domain of Enzyme 1 - Nitrogen (pdb code 5t12). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the N-Terminal Domain of Enzyme 1 - Nitrogen, PDB code: 5t12:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in the N-Terminal Domain of Enzyme 1 - Nitrogen


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of N-Terminal Domain of Enzyme 1 - Nitrogen within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:45.9 occ:0.63 O A:HOH605 3.7 53.3 1.0 CG2 A:THR333 4.1 35.1 1.0 CB A:MET194 4.1 37.6 1.0 CB A:THR333 4.2 41.4 1.0 CB A:PRO192 4.2 31.8 1.0 CG A:MET194 4.2 46.5 1.0 CG A:PRO192 4.3 31.1 1.0 CD A:GLN303 4.3 36.4 1.0 CB A:ARG299 4.3 28.8 1.0 CG A:GLN303 4.4 37.5 1.0 OE1 A:GLN303 4.4 43.7 1.0 CD A:ARG299 4.4 52.0 1.0 OG1 A:THR333 4.5 41.7 1.0 NE2 A:GLN303 4.8 44.5 1.0 CG A:ARG299 5.0 48.8 1.0

Iodine binding site 2 out of 5 in the N-Terminal Domain of Enzyme 1 - Nitrogen


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of N-Terminal Domain of Enzyme 1 - Nitrogen within 5.0Å range: probe atom residue distance (Å) B Occ A:I502 b:63.0 occ:0.54 OD1 A:ASP328 3.3 78.4 1.0 NE2 A:GLN187 3.4 50.4 1.0 CG A:GLN187 3.8 51.1 1.0 N A:ASP328 3.8 40.7 1.0 CA A:ALA327 3.9 33.5 1.0 CG A:ASP328 4.0 81.2 1.0 CD A:GLN187 4.1 51.6 1.0 CB A:PRO376 4.1 40.7 1.0 CB A:ALA327 4.2 34.4 1.0 C A:ALA327 4.4 38.7 1.0 CG A:PRO376 4.4 37.6 1.0 O A:VAL326 4.6 35.5 1.0 OD2 A:ASP328 4.7 0.9 1.0 O A:ASP188 4.7 47.9 1.0 CB A:ASP328 4.7 52.6 1.0 CA A:ASP328 4.9 47.2 1.0 CA A:ALA189 4.9 62.2 1.0 N A:ALA327 5.0 36.0 1.0

Iodine binding site 3 out of 5 in the N-Terminal Domain of Enzyme 1 - Nitrogen


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of N-Terminal Domain of Enzyme 1 - Nitrogen within 5.0Å range: probe atom residue distance (Å) B Occ A:I503 b:58.6 occ:0.73 N A:GLN375 3.4 61.3 1.0 CA A:ILE374 4.0 53.2 1.0 CB A:GLN375 4.1 73.5 1.0 C A:ILE374 4.1 62.6 1.0 CD2 A:LEU379 4.2 52.2 1.0 CA A:GLN375 4.2 58.9 1.0 CG1 A:VAL378 4.3 45.2 1.0 CB A:VAL378 4.3 57.4 1.0 CG1 A:ILE374 4.4 60.1 1.0 O A:GLN375 4.4 53.0 1.0 CG A:GLN375 4.5 91.2 1.0 CG A:LEU379 4.6 48.4 1.0 OE1 A:GLN375 4.7 85.0 1.0 CB A:ILE374 4.7 54.6 1.0 C A:GLN375 4.8 63.4 1.0 CD A:GLN375 4.9 85.1 1.0 O A:ASP373 4.9 79.1 1.0 CG2 A:VAL378 5.0 45.3 1.0

Iodine binding site 4 out of 5 in the N-Terminal Domain of Enzyme 1 - Nitrogen


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of N-Terminal Domain of Enzyme 1 - Nitrogen within 5.0Å range: probe atom residue distance (Å) B Occ A:I504 b:40.9 occ:0.74 OG1 A:THR252 3.5 64.0 1.0 NH2 A:ARG256 3.6 44.5 1.0 CD A:ARG256 3.9 55.5 1.0 CG A:ARG253 4.3 31.0 1.0 CB A:THR252 4.5 52.7 1.0 CZ A:ARG256 4.6 47.3 1.0 NE A:ARG256 4.7 43.0 1.0 N A:ARG253 4.8 33.7 1.0 CG A:ARG256 5.0 43.3 1.0

Iodine binding site 5 out of 5 in the N-Terminal Domain of Enzyme 1 - Nitrogen


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of N-Terminal Domain of Enzyme 1 - Nitrogen within 5.0Å range: probe atom residue distance (Å) B Occ A:I505 b:58.3 occ:0.40 OD1 A:ASN354 3.4 43.4 1.0 CG A:ASN354 3.6 50.5 1.0 CB A:ASN354 4.0 36.9 1.0 ND2 A:ASN354 4.1 45.5 1.0 N A:ASN354 4.2 34.7 1.0 N A:ALA353 4.5 34.3 1.0 CB A:ALA352 4.6 48.9 1.0 CA A:ASN354 4.8 36.5 1.0 C A:ALA353 4.9 36.8 1.0 CA A:ALA352 5.0 55.8 1.0

M.Strickland, A.M.Stanley, G.Wang, I.Botos, C.D.Schwieters, S.K.Buchanan, A.Peterkofsky, N.Tjandra. Structure of the Npr:Ein(Ntr) Complex: Mechanism For Specificity in Paralogous Phosphotransferase Systems. Structure V. 24 2127 2016.
ISSN: ISSN 1878-4186
PubMed: 27839951
DOI: 10.1016/J.STR.2016.10.007