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Iodine in PDB 4owc: PTI6 Binding to Hewl

Enzymatic activity of PTI6 Binding to Hewl

All present enzymatic activity of PTI6 Binding to Hewl:
3.2.1.17;

Protein crystallography data

The structure of PTI6 Binding to Hewl, PDB code: 4owc was solved by S.W.M.Tanley, V.L.Starkey, L.Lamplough, S.Kaenket, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.82 / 1.62
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.689, 78.689, 36.939, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 19.3

Other elements in 4owc:

The structure of PTI6 Binding to Hewl also contains other interesting chemical elements:

Platinum (Pt) 2 atoms
Chlorine (Cl) 4 atoms
Sodium (Na) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the PTI6 Binding to Hewl (pdb code 4owc). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the PTI6 Binding to Hewl, PDB code: 4owc:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in 4owc

Go back to Iodine Binding Sites List in 4owc
Iodine binding site 1 out of 8 in the PTI6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of PTI6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I201

b:14.5
occ:0.78
PT A:PT209 2.6 13.7 0.8
O A:HOH373 3.7 26.5 1.0
I A:IOD202 3.7 13.1 0.8
I A:IOD203 3.8 15.8 0.8
NZ A:LYS96 4.0 15.1 1.0
O A:HIS15 4.6 15.4 1.0
ND1 A:HIS15 4.7 16.3 1.0

Iodine binding site 2 out of 8 in 4owc

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Iodine binding site 2 out of 8 in the PTI6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of PTI6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I202

b:13.1
occ:0.78
PT A:PT209 2.6 13.7 0.8
ND1 A:HIS15 3.3 16.3 1.0
I A:IOD201 3.7 14.5 0.8
CG1 A:VAL92 3.9 13.0 1.0
CB A:HIS15 3.9 15.7 1.0
CG A:HIS15 3.9 16.2 1.0
O A:THR89 3.9 13.1 1.0
O A:HOH373 4.0 26.5 1.0
CG2 A:THR89 4.0 13.9 1.0
N A:ASN93 4.0 14.2 1.0
CB A:VAL92 4.0 12.3 1.0
NZ A:LYS96 4.0 15.1 1.0
O A:HIS15 4.1 15.4 1.0
CE1 A:HIS15 4.2 16.3 1.0
CB A:ASN93 4.2 16.1 1.0
CA A:ASN93 4.3 14.4 1.0
CA A:THR89 4.4 13.7 1.0
CE A:LYS96 4.5 16.2 1.0
C A:VAL92 4.6 12.4 1.0
CA A:HIS15 4.6 15.6 1.0
C A:THR89 4.6 14.8 1.0
CB A:THR89 4.8 12.6 1.0
C A:HIS15 4.8 16.2 1.0
CA A:VAL92 4.9 12.0 1.0
CD2 A:HIS15 5.0 14.5 1.0
CD A:LYS96 5.0 13.9 1.0

Iodine binding site 3 out of 8 in 4owc

Go back to Iodine Binding Sites List in 4owc
Iodine binding site 3 out of 8 in the PTI6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of PTI6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I203

b:15.8
occ:0.78
PT A:PT209 2.6 13.7 0.8
ND1 A:HIS15 3.3 16.3 1.0
O A:ARG14 3.7 16.4 1.0
CE1 A:HIS15 3.7 16.3 1.0
I A:IOD201 3.8 14.5 0.8
O A:HOH346 4.0 26.4 1.0
NH2 A:ARG14 4.0 19.4 1.0
CZ A:ARG14 4.2 16.1 1.0
CA A:HIS15 4.2 15.6 1.0
NE A:ARG14 4.2 16.2 1.0
CG A:HIS15 4.2 16.2 1.0
O A:HOH336 4.3 22.8 1.0
C A:ARG14 4.4 14.8 1.0
CG A:ARG14 4.6 16.4 1.0
N A:HIS15 4.7 14.4 1.0
NE2 A:HIS15 4.7 15.5 1.0
CB A:HIS15 4.7 15.7 1.0
CD A:ARG14 4.9 17.3 1.0
NH1 A:ARG14 4.9 14.4 1.0
CD2 A:HIS15 4.9 14.5 1.0

Iodine binding site 4 out of 8 in 4owc

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Iodine binding site 4 out of 8 in the PTI6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of PTI6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I204

b:16.2
occ:0.47
PT A:PT210 2.7 16.2 0.5
I A:IOD207 3.7 14.1 0.5
I A:IOD205 3.9 17.3 0.5
O A:ALA10 4.1 14.1 1.0
CB A:ALA10 4.1 15.6 1.0
C A:ALA10 4.2 13.0 1.0
CD A:ARG14 4.2 17.3 1.0
O A:HOH335 4.4 25.4 1.0
N A:ALA11 4.4 13.1 1.0
CA A:ALA11 4.5 12.3 1.0
CB A:ARG14 4.5 13.6 1.0
CG A:ARG14 4.7 16.4 1.0
CA A:ALA10 4.8 13.8 1.0

Iodine binding site 5 out of 8 in 4owc

Go back to Iodine Binding Sites List in 4owc
Iodine binding site 5 out of 8 in the PTI6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of PTI6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I205

b:17.3
occ:0.47
PT A:PT210 2.7 16.2 0.5
I A:IOD208 3.2 33.6 0.3
NH1 A:ARG14 3.6 14.4 1.0
I A:IOD206 3.7 20.4 0.5
I A:IOD207 3.7 14.1 0.5
CB A:ALA11 3.7 11.8 1.0
CD A:ARG14 3.8 17.3 1.0
I A:IOD204 3.9 16.2 0.5
CA A:ALA11 4.0 12.3 1.0
NE2 A:HIS15 4.3 15.5 1.0
CD2 A:HIS15 4.5 14.5 1.0
CZ A:ARG14 4.6 16.1 1.0
NE A:ARG14 4.7 16.2 1.0
O A:ALA11 4.7 11.8 1.0
C A:ALA11 4.8 11.8 1.0
CB A:ARG14 4.9 13.6 1.0
CG A:ARG14 4.9 16.4 1.0

Iodine binding site 6 out of 8 in 4owc

Go back to Iodine Binding Sites List in 4owc
Iodine binding site 6 out of 8 in the PTI6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of PTI6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I206

b:20.4
occ:0.47
PT A:PT210 2.6 16.2 0.5
I A:IOD205 3.7 17.3 0.5
I A:IOD207 3.8 14.1 0.5
O A:HOH393 4.1 24.6 1.0
O A:HOH358 4.6 27.0 1.0
I A:IOD208 4.7 33.6 0.3
NZ A:LYS1 4.8 21.8 1.0

Iodine binding site 7 out of 8 in 4owc

Go back to Iodine Binding Sites List in 4owc
Iodine binding site 7 out of 8 in the PTI6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of PTI6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I207

b:14.1
occ:0.47
PT A:PT210 2.6 16.2 0.5
I A:IOD204 3.7 16.2 0.5
I A:IOD205 3.7 17.3 0.5
I A:IOD206 3.8 20.4 0.5
CD A:ARG14 4.0 17.3 1.0
NH1 A:ARG14 4.0 14.4 1.0
NE A:ARG14 4.3 16.2 1.0
CZ A:ARG14 4.4 16.1 1.0

Iodine binding site 8 out of 8 in 4owc

Go back to Iodine Binding Sites List in 4owc
Iodine binding site 8 out of 8 in the PTI6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of PTI6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I208

b:33.6
occ:0.35
I A:IOD205 3.2 17.3 0.5
O A:HOH393 3.2 24.6 1.0
N A:ILE88 3.4 14.7 1.0
CG1 A:ILE88 3.7 13.3 1.0
CA A:ASP87 4.0 15.7 1.0
OD1 A:ASP87 4.0 19.9 1.0
NE2 A:HIS15 4.1 15.5 1.0
C A:ASP87 4.1 16.2 1.0
O A:SER86 4.3 17.5 1.0
CA A:ILE88 4.4 14.7 1.0
CB A:ILE88 4.4 14.0 1.0
CG A:ASP87 4.5 21.4 1.0
CB A:ALA11 4.5 11.8 1.0
CD2 A:HIS15 4.6 14.5 1.0
CZ A:PHE3 4.6 14.9 1.0
CD1 A:ILE88 4.6 12.2 1.0
CG2 A:ILE88 4.6 16.9 1.0
O A:HOH358 4.6 27.0 1.0
I A:IOD206 4.7 20.4 0.5
CB A:ASP87 4.8 15.6 1.0
N A:THR89 4.9 12.6 1.0

Reference:

S.W.Tanley, L.V.Starkey, L.Lamplough, S.Kaenket, J.R.Helliwell. The Binding of Platinum Hexahalides (Cl, Br and I) to Hen Egg-White Lysozyme and the Chemical Transformation of the PTI6 Octahedral Complex to A PTI3 Moiety Bound to HIS15. Acta Crystallogr.,Sect.F V. 70 1132 2014.
ISSN: ESSN 2053-230X
PubMed: 25195880
DOI: 10.1107/S2053230X14014009
Page generated: Sun Dec 13 19:36:05 2020

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