Iodine in PDB 7s7t: INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence

The structure of INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence, PDB code: 7s7t was solved by C.Fan, A.V.Shivange, L.L.Looger, H.A.Lester, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.87 / 3.20
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	190.366, 190.366, 49.742, 90, 90, 120
R / Rfree (%)	18.7 / 21.9

The binding sites of Iodine atom in the INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence (pdb code 7s7t). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence, PDB code: 7s7t:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:164.1 occ:0.93 OG1 A:THR272 3.5 87.3 1.0 N A:THR272 4.1 91.2 1.0 C A:ARG271 4.2 80.2 1.0 N A:ARG271 4.2 83.2 1.0 CB A:THR272 4.3 66.1 1.0 C A:GLU270 4.3 79.4 1.0 CB A:GLU270 4.3 68.6 1.0 CA A:ARG271 4.4 63.2 1.0 O A:GLU270 4.4 76.8 1.0 CD A:GLN115 4.5 121.0 1.0 O A:TYR113 4.5 83.8 1.0 CG A:GLN115 4.6 101.7 1.0 OE1 A:GLN115 4.7 110.1 1.0 O A:ARG271 4.7 79.6 1.0 CA A:THR272 4.8 64.4 1.0 NE2 A:GLN115 4.9 139.6 1.0 OE1 A:GLU270 5.0 118.8 1.0 CA A:GLU270 5.0 69.6 1.0

Iodine binding site 2 out of 6 in the INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:158.4 occ:0.69 O A:TYR406 2.6 151.7 1.0 C A:TYR406 3.6 117.6 1.0 CB A:ALA378 4.0 80.4 1.0 CA A:TYR406 4.0 96.3 1.0 NZ A:LYS454 4.3 121.3 1.0 OG A:SER375 4.3 94.9 1.0 CD1 A:TYR406 4.3 81.9 1.0 CA A:SER375 4.5 82.7 1.0 CB A:ASN407 4.6 121.6 1.0 CB A:TYR406 4.7 80.9 1.0 CB A:SER375 4.7 99.3 1.0 N A:ASN407 4.7 94.1 1.0 CE A:LYS454 4.7 98.2 1.0 O A:SER375 4.8 107.0 1.0 O A:ASN407 5.0 94.4 1.0

Iodine binding site 3 out of 6 in the INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:I604 b:104.9 occ:0.44 N A:PHE320 3.4 91.2 1.0 CA A:ASN319 3.6 93.9 1.0 N A:LEU138 3.6 90.7 1.0 CB A:ASN319 3.7 103.0 1.0 C A:ASN319 3.9 85.4 1.0 O A:PHE320 4.1 105.0 1.0 O A:LEU138 4.1 95.8 1.0 O A:SER136 4.1 98.0 1.0 CA A:VAL137 4.1 79.8 1.0 CA A:PHE320 4.4 84.5 1.0 C A:VAL137 4.4 87.8 1.0 CB A:PHE320 4.4 81.1 1.0 CA A:LEU138 4.5 78.1 1.0 CB A:LEU138 4.5 71.9 1.0 CD1 A:LEU138 4.6 86.2 1.0 CG1 A:VAL137 4.7 107.8 1.0 C A:PHE320 4.7 93.3 1.0 C A:LEU138 4.8 77.2 1.0 N A:ASN319 4.9 72.5 1.0 O A:TYR318 4.9 116.1 1.0 CB A:VAL137 5.0 83.3 1.0 C A:SER136 5.0 80.9 1.0

Iodine binding site 4 out of 6 in the INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:I605 b:126.5 occ:0.48 OD2 A:ASP111 3.2 134.8 1.0 CB A:ASP111 3.9 83.5 1.0 CG A:ASP111 4.0 125.7 1.0 CB A:LEU109 4.1 99.8 1.0 CG A:LYS276 4.3 90.5 1.0 NZ A:LYS97 4.4 93.0 1.0 CG A:LEU109 4.4 89.8 1.0 CB A:LYS276 4.5 75.8 1.0 CD A:LYS97 4.6 72.3 1.0 CD1 A:LEU109 4.6 79.9 1.0 CE A:LYS97 4.7 81.8 1.0 N A:ASP111 4.8 73.8 1.0 CA A:ASP111 4.9 80.6 1.0 O A:SER274 4.9 80.9 1.0

Iodine binding site 5 out of 6 in the INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:I606 b:235.2 occ:0.94 NZ A:LYS478 2.8 163.5 1.0 CE A:LYS478 3.8 157.3 1.0 NZ A:LYS336 3.9 121.0 1.0 ND2 A:ASN482 4.2 171.0 1.0 O A:TRP347 4.2 135.9 1.0 NZ A:LYS349 4.3 165.1 1.0 CG A:LYS349 4.4 125.9 1.0 CA A:LEU348 4.6 119.2 1.0 CE A:LYS349 4.6 152.1 1.0 CE A:LYS336 4.7 124.3 1.0 CD2 A:LEU348 4.7 120.0 1.0 N A:LYS349 4.7 138.5 1.0 C A:LEU348 4.8 129.2 1.0 OH A:TYR332 4.9 137.2 1.0 CD A:LYS478 4.9 143.2 1.0

Iodine binding site 6 out of 6 in the INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of INICSNFR3A Drug Sensor Comprising Periplasmic Binding Sequence Plus Fluorescent Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:I607 b:192.6 occ:0.74 O A:PRO328 4.1 143.1 1.0 CG A:PRO350 4.1 107.3 1.0 CB A:TYR332 4.2 96.0 1.0 C A:PRO328 4.3 131.9 1.0 CA A:GLU329 4.5 129.5 1.0 N A:GLU329 4.5 126.9 1.0 CG A:TYR332 4.6 95.5 1.0 CG A:TYR461 4.7 105.0 1.0 CB A:PRO328 4.7 109.4 1.0 CB A:PRO350 4.7 103.2 1.0 CD2 A:TYR461 4.8 109.5 1.0 CB A:TYR461 4.9 100.0 1.0 CD1 A:TYR332 5.0 96.7 1.0

C.Fan, D.C.Rees, H.A.Lester. Crystal Structure of Inicsnfr 3.0 Fluorescent Nicotine Sensor with Varenicline Bound To Be Published.