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Iodine in PDB 4gbo: Structure of T.Fusca E7

Protein crystallography data

The structure of Structure of T.Fusca E7, PDB code: 4gbo was solved by P.M.Alahuhta, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.78 / 2.00
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 77.228, 77.228, 122.346, 90.00, 90.00, 120.00
R / Rfree (%) 16.7 / 23.3

Other elements in 4gbo:

The structure of Structure of T.Fusca E7 also contains other interesting chemical elements:

Copper (Cu) 2 atoms
Sodium (Na) 1 atom

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Iodine atom in the Structure of T.Fusca E7 (pdb code 4gbo). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 27 binding sites of Iodine where determined in the Structure of T.Fusca E7, PDB code: 4gbo:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 27 in 4gbo

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Iodine binding site 1 out of 27 in the Structure of T.Fusca E7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of T.Fusca E7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I304

b:23.7
occ:0.70
OD2 A:ASP67 3.9 15.0 1.0
NE A:ARG53 4.0 19.2 1.0
NE1 A:TRP54 4.0 14.5 1.0
CE A:LYS126 4.0 25.9 1.0
CD A:ARG53 4.0 18.1 1.0
CZ2 A:TRP54 4.1 14.8 1.0
CB A:ASP67 4.2 16.1 1.0
CE2 A:TRP54 4.3 14.0 1.0
CG A:ASP67 4.4 16.4 1.0
O A:GLU66 4.5 19.1 1.0
CG A:GLU66 4.7 38.4 1.0
O A:HOH522 4.7 40.7 1.0
CG A:LYS126 4.7 24.0 1.0
CD A:LYS126 4.8 26.1 1.0
CB A:ARG53 4.8 17.2 1.0
C A:GLU66 5.0 20.4 1.0

Iodine binding site 2 out of 27 in 4gbo

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Iodine binding site 2 out of 27 in the Structure of T.Fusca E7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of T.Fusca E7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I305

b:41.0
occ:0.50
OG A:SER178 3.3 19.1 1.0
N A:PRO180 3.6 21.6 1.0
C A:TYR179 3.6 20.1 1.0
CD A:PRO180 3.7 23.5 1.0
CB A:SER178 3.8 23.9 1.0
C A:SER178 3.9 20.1 1.0
N A:TYR179 4.0 21.2 1.0
CA A:PRO180 4.0 22.7 1.0
CA A:TYR179 4.0 20.4 1.0
O A:SER178 4.1 20.5 1.0
O A:TYR179 4.1 19.7 1.0
O A:HOH422 4.3 29.0 1.0
CG A:PRO180 4.3 26.3 1.0
CB A:PRO180 4.3 25.5 1.0
CA A:SER178 4.5 20.9 1.0

Iodine binding site 3 out of 27 in 4gbo

Go back to Iodine Binding Sites List in 4gbo
Iodine binding site 3 out of 27 in the Structure of T.Fusca E7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of T.Fusca E7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I306

b:32.2
occ:0.70
O A:HOH547 3.0 52.7 1.0
O A:HOH546 3.0 43.6 1.0
O A:HOH548 3.0 40.2 1.0
O A:HOH451 3.8 37.7 1.0
CB A:PHE158 4.0 16.7 1.0
CD2 A:PHE158 4.1 17.3 1.0
CA A:SER169 4.2 15.9 1.0
CA A:PHE158 4.2 17.3 1.0
N A:PHE158 4.2 19.3 1.0
CB A:SER169 4.3 16.9 1.0
CB A:LYS155 4.4 19.2 1.0
CE A:LYS155 4.4 32.8 1.0
CG A:PHE158 4.6 16.7 1.0
O A:LYS155 4.8 15.6 1.0
O A:SER169 4.8 11.9 1.0
C A:GLY157 4.8 20.2 1.0
C A:SER169 5.0 15.5 1.0

Iodine binding site 4 out of 27 in 4gbo

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Iodine binding site 4 out of 27 in the Structure of T.Fusca E7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of T.Fusca E7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I307

b:31.6
occ:0.50
ND2 A:ASN184 3.5 17.1 1.0
N A:ASN184 3.5 16.8 1.0
N A:GLN183 3.8 20.4 1.0
CB A:ASN184 3.9 17.2 1.0
CG A:ASN184 4.2 17.6 1.0
CB A:GLN183 4.2 23.7 1.0
CB B:TRP82 4.3 16.9 1.0
CA A:ASN184 4.3 16.9 1.0
CA A:GLN183 4.3 21.2 1.0
C A:GLN183 4.4 19.8 1.0
O A:ASN184 4.4 19.1 1.0
CG B:TRP82 4.6 16.3 1.0
CB A:ALA182 4.7 21.8 1.0
O A:HOH524 4.7 35.4 1.0
C A:ALA182 4.7 21.7 1.0
C A:ASN184 4.8 17.9 1.0
CA A:ALA182 4.9 21.4 1.0

Iodine binding site 5 out of 27 in 4gbo

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Iodine binding site 5 out of 27 in the Structure of T.Fusca E7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of T.Fusca E7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I308

b:26.7
occ:0.35
O A:HOH449 3.2 29.7 1.0
N A:VAL122 3.6 16.9 1.0
CB A:ALA121 3.9 17.0 1.0
CA A:ALA121 3.9 16.9 1.0
C A:ALA121 4.3 16.1 1.0
CB A:VAL122 4.3 18.3 1.0
O A:VAL122 4.4 15.6 1.0
CA A:VAL122 4.5 16.2 1.0
O A:HOH536 4.7 25.8 1.0
CG2 A:VAL122 4.8 18.2 1.0
C A:VAL122 4.9 16.0 1.0

Iodine binding site 6 out of 27 in 4gbo

Go back to Iodine Binding Sites List in 4gbo
Iodine binding site 6 out of 27 in the Structure of T.Fusca E7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of T.Fusca E7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I309

b:38.6
occ:0.50
N A:GLN156 3.4 16.5 1.0
O A:ASN193 3.7 32.9 1.0
O A:HOH543 3.7 40.4 1.0
CZ A:ARG194 3.9 20.6 1.0
NH1 A:ARG194 3.9 21.5 1.0
O A:HOH519 3.9 38.8 1.0
CA A:LYS155 4.0 15.8 1.0
CB A:GLN156 4.1 17.3 1.0
O A:HOH542 4.1 33.2 1.0
NE A:ARG194 4.2 21.5 1.0
O A:PRO192 4.2 20.9 1.0
C A:LYS155 4.2 17.0 1.0
NH2 A:ARG194 4.3 22.1 1.0
CB A:ASN193 4.3 29.0 1.0
CG A:ARG194 4.4 23.5 1.0
CA A:GLN156 4.4 17.3 1.0
CG A:LYS155 4.4 23.4 1.0
CB A:LYS155 4.5 19.2 1.0
OE2 A:GLU171 4.5 53.1 1.0
C A:ASN193 4.6 27.1 1.0
CD A:ARG194 4.7 21.7 1.0

Iodine binding site 7 out of 27 in 4gbo

Go back to Iodine Binding Sites List in 4gbo
Iodine binding site 7 out of 27 in the Structure of T.Fusca E7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of T.Fusca E7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I310

b:29.8
occ:0.50
O A:HOH566 2.9 34.4 1.0
NH1 A:ARG97 3.3 26.5 0.5
N A:ARG97 3.5 15.2 0.5
N A:ARG97 3.5 14.9 0.5
CB A:ARG97 3.6 17.9 0.5
CA A:ASN95 3.6 13.7 1.0
C A:ASN95 3.7 13.5 1.0
N A:HIS96 3.8 13.0 1.0
CB A:ARG97 3.8 16.9 0.5
CG A:ARG97 3.8 18.1 0.5
ND2 A:ASN95 3.9 14.8 1.0
O A:HOH565 4.0 37.1 1.0
CA A:ARG97 4.1 16.0 0.5
CA A:ARG97 4.1 15.5 0.5
CB A:ASN95 4.2 14.6 1.0
O A:GLY94 4.2 16.1 1.0
CZ A:ARG97 4.3 24.8 0.5
O A:ASN95 4.3 12.5 1.0
N A:ALA98 4.4 15.1 1.0
CG A:ARG97 4.5 20.2 0.5
CG A:ASN95 4.5 15.3 1.0
CD A:ARG97 4.5 21.0 0.5
C A:HIS96 4.6 14.2 1.0
CD A:ARG97 4.7 22.8 0.5
CA A:HIS96 4.7 14.2 1.0
C A:ARG97 4.7 15.3 0.5
N A:ASN95 4.7 14.0 1.0
NE A:ARG97 4.7 22.2 0.5
C A:ARG97 4.7 15.7 0.5
C A:GLY94 4.9 14.3 1.0

Iodine binding site 8 out of 27 in 4gbo

Go back to Iodine Binding Sites List in 4gbo
Iodine binding site 8 out of 27 in the Structure of T.Fusca E7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of T.Fusca E7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I311

b:31.8
occ:0.30
O A:HOH510 3.3 30.7 1.0
ND2 A:ASN79 3.3 21.5 1.0
ND2 A:ASN77 3.4 17.1 1.0
NE A:ARG115 3.4 25.4 1.0
CG A:ARG115 3.7 18.8 1.0
OD1 A:ASN77 3.9 18.9 1.0
CD A:ARG115 3.9 21.3 1.0
CB A:ASN79 4.0 17.8 1.0
CB A:ARG115 4.0 17.9 1.0
CG A:ASN79 4.1 21.9 1.0
CG A:ASN77 4.1 17.7 1.0
CZ A:ARG115 4.5 31.9 1.0
CA A:ARG115 4.6 16.8 1.0
NH2 A:ARG115 4.7 32.8 1.0
O A:HOH535 4.8 16.6 0.5

Iodine binding site 9 out of 27 in 4gbo

Go back to Iodine Binding Sites List in 4gbo
Iodine binding site 9 out of 27 in the Structure of T.Fusca E7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of T.Fusca E7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I312

b:40.5
occ:0.30
O A:ASN193 3.5 32.9 1.0
C A:ASN193 3.7 27.1 1.0
CB A:SER195 3.9 26.4 1.0
N A:ARG194 3.9 26.6 1.0
N A:SER195 4.0 23.6 1.0
C A:ARG194 4.0 24.1 1.0
CD A:GLN156 4.0 18.4 1.0
OE1 A:GLN156 4.0 18.6 1.0
CA A:ARG194 4.1 24.6 1.0
O A:HOH542 4.1 33.2 1.0
CG A:GLN156 4.2 17.6 1.0
CA A:ASN193 4.4 27.8 1.0
NE2 A:GLN156 4.5 20.1 1.0
O A:ARG194 4.5 20.7 1.0
CA A:SER195 4.6 22.4 1.0
CB A:GLN156 4.9 17.3 1.0
CB A:ASN193 5.0 29.0 1.0

Iodine binding site 10 out of 27 in 4gbo

Go back to Iodine Binding Sites List in 4gbo
Iodine binding site 10 out of 27 in the Structure of T.Fusca E7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of T.Fusca E7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I313

b:40.4
occ:0.40
NH2 A:ARG117 2.7 38.9 1.0
CZ A:ARG117 3.6 37.2 1.0
NH1 A:ARG117 3.6 53.9 1.0
NE A:ARG117 4.8 32.3 1.0

Reference:

P.M.Alahuhta, V.V.Lunin. Structure of T.Fusca E7 To Be Published.
Page generated: Sun Dec 13 19:32:41 2020

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