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Iodine in PDB 9m0i: Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.

Enzymatic activity of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.

All present enzymatic activity of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.:
1.11.1.7;

Protein crystallography data

The structure of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution., PDB code: 9m0i was solved by V.Viswanathan, A.Maurya, H.V.Sirohi, G.S.Kushwaha, M.Sinha, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.11 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.27, 80.441, 76.599, 90, 103.2, 90
R / Rfree (%) 21 / 26.5

Other elements in 9m0i:

The structure of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Iron (Fe) 1 atom

Iodine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iodine atom in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. (pdb code 9m0i). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 20 binding sites of Iodine where determined in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution., PDB code: 9m0i:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 20 in 9m0i

Go back to Iodine Binding Sites List in 9m0i
Iodine binding site 1 out of 20 in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I606

b:48.9
occ:0.60
 I A:IOD606 0.0 48.9 0.6
I A:IOD606 1.4 61.3 0.4
CA A:PRO236 3.5 43.5 1.0
N A:PRO236 3.6 43.9 1.0
O A:SER235 3.8 51.7 1.0
CB A:PRO236 3.8 45.5 1.0
C A:SER235 3.8 52.4 1.0
N A:THR425 3.9 53.4 1.0
CB A:PHE239 4.1 46.6 1.0
CD A:PRO236 4.2 46.2 1.0
O A:PRO234 4.3 63.9 1.0
CA A:PRO424 4.4 51.7 1.0
CG A:PHE239 4.5 50.0 1.0
C A:PRO234 4.6 66.0 1.0
CG A:PRO236 4.6 49.0 1.0
CB A:PRO424 4.6 52.0 1.0
CB A:PRO234 4.6 74.4 1.0
C A:PRO424 4.6 50.4 1.0
CA A:THR425 4.7 60.3 1.0
CD2 A:PHE239 4.7 53.5 1.0
CG A:PRO234 4.7 76.6 1.0
N A:SER235 4.8 56.9 1.0
C A:PRO236 4.8 37.7 1.0
CA A:SER235 4.8 52.6 1.0
CZ A:PHE422 5.0 46.8 1.0

Iodine binding site 2 out of 20 in 9m0i

Go back to Iodine Binding Sites List in 9m0i
Iodine binding site 2 out of 20 in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I606

b:61.3
occ:0.40
 I A:IOD606 0.0 61.3 0.4
I A:IOD606 1.4 48.9 0.6
N A:THR425 3.0 53.4 1.0
CA A:THR425 3.6 60.3 1.0
C A:PRO424 4.0 50.4 1.0
CA A:PRO424 4.0 51.7 1.0
CG A:PHE239 4.3 50.0 1.0
CD2 A:PHE239 4.3 53.5 1.0
CB A:PHE239 4.4 46.6 1.0
CZ A:PHE422 4.5 46.8 1.0
CA A:PRO236 4.5 43.5 1.0
C A:THR425 4.5 62.1 1.0
CG2 A:THR425 4.5 56.2 1.0
CB A:THR425 4.6 58.7 1.0
CB A:PRO424 4.7 52.0 1.0
CB A:PRO236 4.7 45.5 1.0
N A:HIS426 4.7 63.8 1.0
CD1 A:PHE239 4.8 46.8 1.0
CE2 A:PHE239 4.9 49.7 1.0
N A:PRO236 4.9 43.9 1.0
CE1 A:PHE422 5.0 45.8 1.0

Iodine binding site 3 out of 20 in 9m0i

Go back to Iodine Binding Sites List in 9m0i
Iodine binding site 3 out of 20 in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I607

b:38.6
occ:1.00
 N A:TRP46 3.4 36.0 1.0
N A:VAL342 3.5 34.1 1.0
CH2 A:TRP452 3.7 36.1 1.0
O A:HOH844 3.7 33.9 1.0
O A:ALA44 3.8 33.9 1.0
CA A:ARG45 3.9 38.2 1.0
CZ2 A:TRP452 3.9 40.0 1.0
CB A:VAL342 3.9 32.2 1.0
CB A:ASN341 3.9 37.5 1.0
N A:ASN341 4.0 34.0 1.0
C A:ARG45 4.1 39.5 1.0
CG1 A:VAL342 4.1 34.4 1.0
CE A:MET446 4.2 34.3 1.0
N A:LEU47 4.2 35.4 1.0
O A:LEU47 4.2 40.9 1.0
CA A:VAL342 4.2 31.6 1.0
CA A:ASN341 4.3 38.2 1.0
CD A:ARG45 4.3 38.1 1.0
CA A:TRP46 4.4 39.7 1.0
C A:ASN341 4.4 39.1 1.0
CB A:TRP46 4.4 38.1 1.0
CB A:SER340 4.4 29.9 1.0
C A:ALA44 4.7 37.4 1.0
N A:ARG45 4.8 35.1 1.0
CB A:ARG45 4.8 41.6 1.0
C A:TRP46 4.8 37.6 1.0
NH1 A:ARG45 4.9 36.6 1.0
CZ3 A:TRP452 4.9 40.6 1.0
C A:SER340 4.9 34.0 1.0
CG A:TRP46 4.9 38.3 1.0
SD A:MET446 4.9 38.4 1.0
OG A:SER340 5.0 33.6 1.0

Iodine binding site 4 out of 20 in 9m0i

Go back to Iodine Binding Sites List in 9m0i
Iodine binding site 4 out of 20 in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I608

b:49.4
occ:0.90
 NE1 A:TRP530 3.6 41.8 1.0
CZ2 A:TRP530 3.8 44.0 1.0
CB A:PHE309 3.9 38.2 1.0
CE2 A:TRP530 4.1 42.7 1.0
OE1 A:GLU531 4.2 68.1 1.0
N A:ARG310 4.4 41.0 1.0
CA A:ILE306 4.4 43.8 1.0
CB A:ARG310 4.5 46.0 1.0
CZ2 A:TRP529 4.6 46.1 1.0
CG1 A:ILE306 4.6 47.5 1.0
C A:PHE309 4.6 38.1 1.0
O A:ILE306 4.6 43.5 1.0
CA A:ARG310 4.8 45.1 1.0
CA A:PHE309 4.8 37.3 1.0
CD1 A:TRP530 4.9 44.9 1.0
O A:GLN305 4.9 34.3 1.0
CB A:ILE306 4.9 48.6 1.0
CD A:GLU531 4.9 59.2 1.0

Iodine binding site 5 out of 20 in 9m0i

Go back to Iodine Binding Sites List in 9m0i
Iodine binding site 5 out of 20 in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I609

b:56.6
occ:0.80
 ND2 A:ASN80 3.6 44.8 1.0
CG A:PRO145 3.8 40.4 1.0
CG A:GLU77 3.8 52.0 1.0
CB A:ASN80 3.9 33.6 1.0
CG A:ASN80 4.2 37.0 1.0
CE A:LYS81 4.3 56.8 1.0
CB A:PRO145 4.3 46.6 1.0
O A:LYS146 4.3 72.6 1.0
CG A:LYS81 4.5 51.4 1.0
CA A:GLU77 4.6 40.2 1.0
CB A:GLU77 4.7 47.8 1.0
CD A:GLU77 4.7 62.9 1.0
CD A:LYS81 4.8 56.7 1.0
O A:GLU77 4.9 41.8 1.0
NZ A:LYS81 4.9 56.7 1.0

Iodine binding site 6 out of 20 in 9m0i

Go back to Iodine Binding Sites List in 9m0i
Iodine binding site 6 out of 20 in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I610

b:56.2
occ:0.80
 S A:SCN622 2.7 46.8 0.7
C A:SCN622 3.4 34.8 0.7
NH1 A:ARG202 3.6 69.1 1.0
CA A:LEU199 4.1 45.6 1.0
OG A:SER198 4.2 58.7 1.0
CB A:LEU199 4.2 47.8 1.0
N A:LEU199 4.2 41.3 1.0
CD A:ARG202 4.3 56.0 1.0
CD1 A:LEU199 4.3 49.6 1.0
N A:SCN622 4.3 37.5 0.7
C A:SER198 4.7 46.9 1.0
CZ A:ARG202 4.7 62.3 1.0
CG A:LEU199 4.8 47.9 1.0
O A:SER198 4.9 42.7 1.0
NE A:ARG202 5.0 57.5 1.0
O A:HOH1056 5.0 55.7 1.0

Iodine binding site 7 out of 20 in 9m0i

Go back to Iodine Binding Sites List in 9m0i
Iodine binding site 7 out of 20 in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I611

b:49.6
occ:0.60
 N A:LYS462 3.6 43.8 1.0
OG1 A:THR463 3.7 43.2 1.0
CA A:GLY466 3.9 48.9 1.0
O A:HOH1027 4.0 48.4 1.0
N A:THR463 4.0 45.1 1.0
CA A:PRO461 4.2 47.3 1.0
CG2 A:THR463 4.4 41.3 1.0
C A:PRO461 4.4 47.0 1.0
CA A:LYS462 4.4 48.5 1.0
CB A:THR463 4.5 42.5 1.0
N A:GLY466 4.5 47.1 1.0
CB A:LYS462 4.5 47.6 1.0
C A:LYS462 4.7 46.4 1.0
CA A:THR463 4.8 44.3 1.0
CG A:LYS462 4.9 57.6 1.0
O A:GLN460 5.0 41.6 1.0
CB A:PRO461 5.0 48.5 1.0

Iodine binding site 8 out of 20 in 9m0i

Go back to Iodine Binding Sites List in 9m0i
Iodine binding site 8 out of 20 in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I612

b:56.3
occ:0.50
 C A:SCN621 0.9 57.6 0.5
S A:SCN621 1.5 65.9 0.5
N A:SCN621 1.8 49.5 0.5
NE2 A:HIS377 3.5 48.3 1.0
CD2 A:HIS377 3.6 48.9 1.0
ND1 A:HIS429 4.1 47.3 1.0
CG A:HIS429 4.2 47.8 1.0
CE1 A:HIS429 4.4 59.7 1.0
CG2 A:THR378 4.5 46.0 1.0
CD2 A:HIS429 4.6 55.6 1.0
CB A:HIS429 4.7 43.8 1.0
NE2 A:HIS429 4.7 58.9 1.0
CE1 A:HIS377 4.8 52.6 1.0
CG A:HIS377 4.8 47.5 1.0

Iodine binding site 9 out of 20 in 9m0i

Go back to Iodine Binding Sites List in 9m0i
Iodine binding site 9 out of 20 in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I613

b:63.5
occ:0.55
 O A:HOH1012 3.1 57.5 1.0
N A:GLN217 3.8 59.9 1.0
N A:PHE229 3.8 46.5 1.0
OD1 A:ASN216 3.8 60.0 1.0
CG A:ASN216 3.9 57.5 1.0
CA A:ASN216 4.0 56.0 1.0
ND2 A:ASN216 4.1 59.4 1.0
CA A:PRO228 4.2 49.8 1.0
CD2 A:PHE229 4.2 56.5 1.0
CB A:PRO228 4.4 52.0 1.0
C A:ASN216 4.4 55.8 1.0
OE2 A:GLU218 4.5 97.0 1.0
C A:PRO228 4.5 48.1 1.0
CB A:PHE229 4.5 45.3 1.0
CB A:ASN216 4.6 54.7 1.0
CG A:PHE229 4.7 51.0 1.0
N A:GLU218 4.7 70.4 1.0
CA A:PHE229 4.7 46.7 1.0
O A:VAL215 4.7 53.2 1.0
CA A:GLN217 4.8 68.6 1.0
CD A:GLU218 4.8 93.3 1.0
O A:PHE229 4.8 57.8 1.0
CG A:GLU218 4.9 82.3 1.0
CB A:GLN217 4.9 66.0 1.0

Iodine binding site 10 out of 20 in 9m0i

Go back to Iodine Binding Sites List in 9m0i
Iodine binding site 10 out of 20 in the Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I614

b:84.0
occ:0.50
 C A:SCN624 0.6 36.2 0.5
S A:SCN624 1.3 35.7 0.5
N A:SCN624 1.7 42.6 0.5
N A:PHE567 3.3 42.7 1.0
N A:ALA566 3.4 49.1 1.0
C A:HIS565 3.5 46.0 1.0
CA A:HIS565 3.5 49.3 1.0
CD2 A:PHE567 3.7 49.9 1.0
CB A:HIS565 3.7 53.8 1.0
CB A:PHE567 3.8 43.0 1.0
O A:HOH758 4.0 47.9 1.0
CA A:PHE567 4.0 46.8 1.0
CG A:PHE567 4.1 48.0 1.0
O A:HIS565 4.1 48.5 1.0
C A:ALA566 4.3 46.4 1.0
CA A:ALA566 4.3 45.8 1.0
N A:GLN568 4.4 47.1 1.0
O A:HOH907 4.4 47.8 1.0
CB A:ASP311 4.5 46.1 1.0
O A:HOH804 4.6 52.8 1.0
C A:PHE567 4.7 43.2 1.0
CE2 A:PHE567 4.7 51.1 1.0
OE1 A:GLN568 4.7 67.2 1.0
CG A:HIS565 4.8 60.2 1.0
CG A:ASP311 4.8 48.8 1.0
CG A:GLN568 4.8 56.9 1.0
N A:HIS565 4.9 52.5 1.0
ND1 A:HIS565 4.9 67.0 1.0

Reference:

V.Viswanathan, A.Maurya, H.V.Sirohi, G.S.Kushwaha, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Structure of the Intermediate of Lactoperoxidase Formed with Thiocynate and Hydrogen Peroxidase at 1.99 A Resolution. To Be Published.
Page generated: Sat Aug 9 00:53:10 2025

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