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Iodine in PDB 5uiz: Structure of T.Fusca AA10A

Protein crystallography data

The structure of Structure of T.Fusca AA10A, PDB code: 5uiz 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 (%) 16.4 / 22.9

Other elements in 5uiz:

The structure of Structure of T.Fusca AA10A also contains other interesting chemical elements:

Copper (Cu) 2 atoms

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Iodine atom in the Structure of T.Fusca AA10A (pdb code 5uiz). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 28 binding sites of Iodine where determined in the Structure of T.Fusca AA10A, PDB code: 5uiz:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 28 in 5uiz

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Iodine binding site 1 out of 28 in the Structure of T.Fusca AA10A


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 AA10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:27.8
occ:0.79
 OD2 A:ASP67 3.8 17.9 1.0
CE A:LYS126 3.9 27.1 1.0
NE A:ARG53 4.0 19.7 1.0
CD A:ARG53 4.0 19.3 1.0
NE1 A:TRP54 4.0 15.9 1.0
CZ2 A:TRP54 4.1 15.2 1.0
CB A:ASP67 4.2 17.6 1.0
CE2 A:TRP54 4.3 15.1 1.0
CG A:ASP67 4.4 18.4 1.0
O A:GLU66 4.5 19.8 1.0
CD A:LYS126 4.7 26.8 1.0
CG A:LYS126 4.8 25.4 1.0
O A:HOH528 4.8 41.9 1.0
CB A:ARG53 4.8 18.9 1.0
NZ A:LYS126 4.9 28.8 1.0
OE2 A:GLU66 4.9 56.1 1.0
C A:GLU66 4.9 20.9 1.0
CG A:ARG53 5.0 18.3 1.0

Iodine binding site 2 out of 28 in 5uiz

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Iodine binding site 2 out of 28 in the Structure of T.Fusca AA10A


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 AA10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I304

b:38.6
occ:0.45
 OG A:SER178 3.2 19.8 1.0
N A:PRO180 3.5 21.8 1.0
C A:TYR179 3.6 20.4 1.0
CD A:PRO180 3.7 23.6 1.0
CB A:SER178 3.8 23.6 1.0
C A:SER178 3.9 20.6 1.0
N A:TYR179 4.0 20.9 1.0
CA A:PRO180 4.0 22.9 1.0
O A:SER178 4.1 20.2 1.0
CA A:TYR179 4.1 20.7 1.0
O A:TYR179 4.1 19.4 1.0
CB A:PRO180 4.3 26.0 1.0
CG A:PRO180 4.3 26.7 1.0
O A:HOH425 4.5 32.0 1.0
CA A:SER178 4.5 20.9 1.0

Iodine binding site 3 out of 28 in 5uiz

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Iodine binding site 3 out of 28 in the Structure of T.Fusca AA10A


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 AA10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I305

b:34.9
occ:0.75
 O A:HOH539 2.9 41.2 1.0
O A:HOH446 3.1 39.3 0.8
O A:HOH431 3.1 30.2 0.7
O A:HOH414 3.8 28.6 0.7
CB A:PHE158 4.0 18.2 1.0
CD1 A:PHE158 4.2 19.2 1.0
CA A:SER169 4.2 16.0 1.0
CA A:PHE158 4.2 18.7 1.0
N A:PHE158 4.2 19.9 1.0
CB A:SER169 4.3 16.1 1.0
CE A:LYS155 4.3 34.9 1.0
CB A:LYS155 4.4 20.7 1.0
CG A:PHE158 4.6 18.4 1.0
O A:LYS155 4.7 17.5 1.0
O A:SER169 4.8 12.7 1.0
C A:GLY157 4.8 21.0 1.0
NE2 A:GLN163 5.0 20.6 1.0
C A:SER169 5.0 15.2 1.0

Iodine binding site 4 out of 28 in 5uiz

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Iodine binding site 4 out of 28 in the Structure of T.Fusca AA10A


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 AA10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I306

b:29.8
occ:0.46
 ND2 A:ASN184 3.5 17.1 1.0
N A:ASN184 3.5 17.8 1.0
N A:GLN183 3.8 21.2 1.0
CB A:ASN184 3.9 18.6 1.0
CG A:ASN184 4.2 19.0 1.0
CB A:GLN183 4.3 25.4 1.0
CB B:TRP82 4.3 18.1 1.0
CA A:ASN184 4.3 17.8 1.0
CA A:GLN183 4.3 22.2 1.0
C A:GLN183 4.3 20.6 1.0
O A:ASN184 4.4 19.8 1.0
CG B:TRP82 4.6 17.3 1.0
CB A:ALA182 4.7 22.8 1.0
C A:ALA182 4.7 23.9 1.0
O A:HOH567 4.8 34.2 1.0
C A:ASN184 4.8 19.0 1.0
CA A:ALA182 4.9 22.7 1.0

Iodine binding site 5 out of 28 in 5uiz

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Iodine binding site 5 out of 28 in the Structure of T.Fusca AA10A


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 AA10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I307

b:25.8
occ:0.31
 O A:HOH486 3.3 32.4 1.0
N A:VAL122 3.5 17.4 1.0
CA A:ALA121 3.8 17.5 1.0
CB A:ALA121 3.9 17.7 1.0
C A:ALA121 4.2 17.2 1.0
CB A:VAL122 4.3 19.6 1.0
O A:VAL122 4.4 16.0 1.0
CA A:VAL122 4.5 17.5 1.0
CG2 A:VAL122 4.8 20.2 1.0
O A:HOH457 4.8 28.1 1.0
C A:VAL122 5.0 17.0 1.0

Iodine binding site 6 out of 28 in 5uiz

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Iodine binding site 6 out of 28 in the Structure of T.Fusca AA10A


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 AA10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I308

b:38.8
occ:0.46
 N A:GLN156 3.5 18.4 1.0
O A:HOH482 3.7 31.2 0.8
O A:ASN193 3.7 38.5 1.0
O A:HOH537 3.8 45.5 1.0
CZ A:ARG194 3.9 23.1 1.0
NH1 A:ARG194 3.9 23.6 1.0
CA A:LYS155 4.0 18.0 1.0
O A:HOH504 4.1 31.3 0.8
OE1 A:GLU171 4.2 55.7 1.0
CB A:GLN156 4.2 19.2 1.0
NH2 A:ARG194 4.2 25.3 1.0
O A:PRO192 4.2 21.4 1.0
NE A:ARG194 4.2 23.1 1.0
C A:LYS155 4.3 19.2 1.0
CB A:ASN193 4.3 30.1 1.0
CG A:LYS155 4.4 25.0 1.0
CB A:LYS155 4.4 20.7 1.0
CA A:GLN156 4.4 19.0 1.0
CG A:ARG194 4.4 24.1 1.0
C A:ASN193 4.5 29.7 1.0
CD A:ARG194 4.8 23.6 1.0

Iodine binding site 7 out of 28 in 5uiz

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Iodine binding site 7 out of 28 in the Structure of T.Fusca AA10A


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 AA10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I309

b:30.5
occ:0.47
 O A:HOH551 2.9 33.1 1.0
O A:HOH435 3.2 31.4 0.6
N A:ARG97 3.5 16.0 0.5
N A:ARG97 3.5 15.2 0.5
CB A:ARG97 3.6 19.6 0.5
CA A:ASN95 3.6 14.4 1.0
NH1 A:ARG97 3.7 23.8 0.5
C A:ASN95 3.7 13.9 1.0
N A:HIS96 3.7 13.7 1.0
CB A:ARG97 3.8 17.0 0.5
CG A:ARG97 3.9 18.0 0.5
OD1 A:ASN95 3.9 16.2 1.0
CA A:ARG97 4.1 17.2 0.5
CA A:ARG97 4.1 15.9 0.5
O A:HOH408 4.1 41.8 1.0
O A:GLY94 4.2 18.1 1.0
CB A:ASN95 4.2 15.2 1.0
CZ A:ARG97 4.2 22.4 0.5
O A:ASN95 4.3 13.2 1.0
N A:ALA98 4.3 15.6 1.0
CG A:ASN95 4.5 15.6 1.0
C A:HIS96 4.5 15.1 1.0
CG A:ARG97 4.6 21.9 0.5
C A:ARG97 4.6 15.9 0.5
CA A:HIS96 4.6 14.4 1.0
NE A:ARG97 4.7 20.1 0.5
C A:ARG97 4.7 16.7 0.5
CD A:ARG97 4.7 19.6 0.5
N A:ASN95 4.8 14.6 1.0
NH2 A:ARG97 4.8 23.0 0.5
O A:HOH487 4.9 44.9 1.0
O A:HOH481 4.9 29.6 1.0
C A:GLY94 4.9 14.6 1.0
CD A:ARG97 5.0 24.8 0.5

Iodine binding site 8 out of 28 in 5uiz

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Iodine binding site 8 out of 28 in the Structure of T.Fusca AA10A


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 AA10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I310

b:30.2
occ:0.28
 O A:HOH470 3.2 22.4 0.7
ND2 A:ASN79 3.3 20.6 1.0
ND2 A:ASN77 3.3 17.2 1.0
NE A:ARG115 3.4 28.7 1.0
CG A:ARG115 3.7 21.5 1.0
OD1 A:ASN77 3.9 20.1 1.0
CB A:ASN79 3.9 18.6 1.0
CB A:ARG115 4.0 19.8 1.0
CD A:ARG115 4.0 24.7 1.0
CG A:ASN77 4.0 19.5 1.0
CG A:ASN79 4.0 21.5 1.0
CZ A:ARG115 4.5 35.4 1.0
CA A:ARG115 4.6 18.2 1.0
NH2 A:ARG115 4.6 38.1 1.0
O A:HOH404 4.7 9.6 0.4

Iodine binding site 9 out of 28 in 5uiz

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Iodine binding site 9 out of 28 in the Structure of T.Fusca AA10A


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 AA10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I311

b:47.0
occ:0.35
 O A:ASN193 3.6 38.5 1.0
C A:ASN193 3.7 29.7 1.0
CB A:SER195 3.9 29.5 1.0
CD A:GLN156 3.9 19.7 1.0
N A:ARG194 4.0 28.8 1.0
N A:SER195 4.0 26.0 1.0
OE1 A:GLN156 4.0 19.3 1.0
C A:ARG194 4.0 25.7 1.0
CA A:ARG194 4.1 26.2 1.0
O A:HOH504 4.1 31.3 0.8
CG A:GLN156 4.2 18.8 1.0
NE2 A:GLN156 4.4 20.3 1.0
CA A:ASN193 4.4 28.8 1.0
O A:ARG194 4.5 21.8 1.0
CA A:SER195 4.6 25.8 1.0
CB A:GLN156 4.9 19.2 1.0
OG A:SER195 5.0 36.4 1.0

Iodine binding site 10 out of 28 in 5uiz

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Iodine binding site 10 out of 28 in the Structure of T.Fusca AA10A


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 AA10A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I312

b:43.9
occ:0.45
 NH2 A:ARG117 2.9 42.8 1.0
NH1 A:ARG117 3.6 55.4 1.0
CZ A:ARG117 3.6 42.9 1.0
O A:HOH534 4.8 40.9 1.0
NE A:ARG117 4.9 35.6 1.0

Reference:

N.Kruer-Zerhusen, M.Alahuhta, V.V.Lunin, M.E.Himmel, Y.J.Bomble, D.B.Wilson. Structure of A Thermobifida Fusca Lytic Polysaccharide Monooxygenase and Mutagenesis of Key Residues. Biotechnol Biofuels V. 10 243 2017.
ISSN: ESSN 1754-6834
PubMed: 29213309
DOI: 10.1186/S13068-017-0925-7
Page generated: Sun Aug 11 22:01:05 2024

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