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

Protein crystallography data

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

Iodine Binding Sites:

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 7s7t

Go back to Iodine Binding Sites List in 7s7t
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 7s7t

Go back to Iodine Binding Sites List in 7s7t
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 7s7t

Go back to Iodine Binding Sites List in 7s7t
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 7s7t

Go back to Iodine Binding Sites List in 7s7t
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 7s7t

Go back to Iodine Binding Sites List in 7s7t
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 7s7t

Go back to Iodine Binding Sites List in 7s7t
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

Reference:

C.Fan, D.C.Rees, H.A.Lester. Crystal Structure of Inicsnfr 3.0 Fluorescent Nicotine Sensor with Varenicline Bound To Be Published.
Page generated: Fri Nov 5 14:18:21 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy