Iodine in PDB 4gn6: Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution.

Enzymatic activity of Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution.

All present enzymatic activity of Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution.:
1.11.1.7;

Protein crystallography data

The structure of Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution., PDB code: 4gn6 was solved by N.Pandey, A.K.Singh, 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) 72.51 / 2.42
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.810, 80.673, 74.442, 90.00, 103.07, 90.00
R / Rfree (%) 21.7 / 23.3

Other elements in 4gn6:

The structure of Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. also contains other interesting chemical elements:

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

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Iodine atom in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. (pdb code 4gn6). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 13 binding sites of Iodine where determined in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution., PDB code: 4gn6:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 13 in 4gn6

Go back to Iodine Binding Sites List in 4gn6
Iodine binding site 1 out of 13 in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A 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 Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I608

b:53.4
occ:1.00
 N A:TRP46 3.2 45.2 1.0
CH2 A:TRP452 3.5 37.1 1.0
N A:VAL342 3.5 36.0 1.0
CB A:ASN341 3.8 38.6 1.0
O A:ALA44 3.8 44.5 1.0
CA A:ARG45 3.9 45.4 1.0
N A:ASN341 3.9 37.7 1.0
CB A:VAL342 4.0 35.6 1.0
CZ2 A:TRP452 4.0 37.6 1.0
C A:ARG45 4.0 46.9 1.0
CB A:TRP46 4.0 44.0 1.0
CG1 A:VAL342 4.1 35.0 1.0
N A:LEU47 4.1 43.4 1.0
CA A:TRP46 4.1 45.0 1.0
CA A:ASN341 4.2 37.0 1.0
CE A:MET446 4.3 42.1 1.0
CD A:ARG45 4.3 42.5 1.0
CA A:VAL342 4.4 35.2 1.0
C A:ASN341 4.4 37.1 1.0
O A:LEU47 4.4 47.0 1.0
CB A:SER340 4.6 37.4 1.0
CZ3 A:TRP452 4.6 37.5 1.0
C A:TRP46 4.7 45.8 1.0
C A:ALA44 4.7 44.0 1.0
CG A:TRP46 4.7 44.4 1.0
CB A:ARG45 4.7 44.4 1.0
N A:ARG45 4.8 44.1 1.0
C A:SER340 4.9 37.6 1.0
SD A:MET446 4.9 45.0 1.0
NH1 A:ARG45 4.9 40.3 1.0

Iodine binding site 2 out of 13 in 4gn6

Go back to Iodine Binding Sites List in 4gn6
Iodine binding site 2 out of 13 in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A 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 Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I609

b:75.1
occ:1.00
 CB A:ASN80 3.9 44.5 1.0
ND2 A:ASN80 3.9 43.7 1.0
CG A:PRO145 3.9 59.5 1.0
CG A:GLU77 4.0 51.4 1.0
O A:HOH752 4.0 52.9 1.0
CE A:LYS81 4.0 48.9 1.0
CB A:PRO145 4.2 60.2 1.0
CG A:ASN80 4.3 44.7 1.0
CA A:GLU77 4.6 47.1 1.0
CG A:LYS81 4.7 48.4 1.0
CD A:LYS81 4.7 49.0 1.0
CB A:GLU77 4.8 49.2 1.0
CD A:GLU77 4.8 53.7 1.0
CB A:ASN147 5.0 72.4 1.0
NZ A:LYS81 5.0 47.7 1.0
O A:GLU77 5.0 47.0 1.0

Iodine binding site 3 out of 13 in 4gn6

Go back to Iodine Binding Sites List in 4gn6
Iodine binding site 3 out of 13 in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A 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 Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I610

b:80.2
occ:0.50
 O5 A:NAG603 3.2 82.2 1.0
NH2 A:ARG96 3.4 51.1 1.0
O A:HOH747 3.5 62.9 1.0
ND2 A:ASN95 3.5 73.0 1.0
NH1 A:ARG96 3.7 52.2 1.0
C1 A:NAG603 3.7 79.6 1.0
CZ A:ARG96 4.0 52.5 1.0
C2 A:NAG603 4.0 85.5 1.0
NH2 A:ARG506 4.1 47.0 1.0
O A:ARG504 4.2 59.8 1.0
C5 A:NAG603 4.2 85.1 1.0
CA A:ARG504 4.2 59.1 1.0
C A:ARG504 4.4 57.2 1.0
C6 A:NAG603 4.4 84.4 1.0
C4 A:NAG603 4.4 85.5 1.0
NH1 A:ARG506 4.5 48.8 1.0
CG A:ARG504 4.6 68.3 1.0
CZ A:ARG506 4.6 46.3 1.0
C3 A:NAG603 4.7 85.2 1.0
CG A:ASN95 4.7 65.6 1.0
CB A:ARG504 4.8 63.6 1.0
O3 A:NAG603 4.9 84.1 1.0
O6 A:NAG603 5.0 88.8 1.0

Iodine binding site 4 out of 13 in 4gn6

Go back to Iodine Binding Sites List in 4gn6
Iodine binding site 4 out of 13 in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A 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 Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I611

b:70.3
occ:1.00
 N A:PHE229 3.7 50.2 1.0
ND2 A:ASN216 3.8 55.3 1.0
N A:GLN217 3.9 53.9 1.0
O A:HOH769 3.9 54.8 1.0
CG A:ASN216 3.9 52.3 1.0
OD1 A:ASN216 4.0 51.0 1.0
CD2 A:PHE229 4.2 55.4 1.0
CA A:ASN216 4.2 52.0 1.0
CB A:PHE229 4.2 52.8 1.0
OE2 A:GLU218 4.3 70.6 1.0
CA A:PRO228 4.3 49.4 1.0
C A:PRO228 4.5 50.5 1.0
CA A:PHE229 4.5 53.0 1.0
CG A:PHE229 4.6 54.0 1.0
C A:ASN216 4.6 51.6 1.0
CB A:PRO228 4.6 48.4 1.0
CB A:ASN216 4.6 51.3 1.0
N A:GLU218 4.7 58.9 1.0
CD A:GLU218 4.8 69.7 1.0
CB A:GLN217 4.8 55.5 1.0
O A:PHE229 4.8 56.3 1.0
CG A:GLU218 4.8 65.7 1.0
CA A:GLN217 4.8 56.1 1.0
O A:VAL215 4.9 52.2 1.0

Iodine binding site 5 out of 13 in 4gn6

Go back to Iodine Binding Sites List in 4gn6
Iodine binding site 5 out of 13 in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A 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 Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I612

b:59.6
occ:1.00
 NE1 A:TRP530 3.5 52.2 1.0
CZ2 A:TRP530 3.8 52.7 1.0
CB A:PHE309 4.0 44.2 1.0
CE2 A:TRP530 4.0 52.6 1.0
CZ2 A:TRP529 4.2 48.9 1.0
CA A:ILE306 4.4 51.8 1.0
N A:ARG310 4.4 47.2 1.0
CB A:ARG310 4.5 49.2 1.0
O A:ILE306 4.6 48.5 1.0
C A:PHE309 4.6 45.8 1.0
O A:GLN305 4.7 51.2 1.0
CG1 A:ILE306 4.7 56.0 1.0
CD1 A:TRP530 4.7 53.1 1.0
O A:HOH793 4.8 54.2 1.0
CA A:PHE309 4.8 46.2 1.0
CA A:ARG310 4.9 48.4 1.0
CB A:ILE306 4.9 52.7 1.0
CG2 A:ILE306 4.9 52.5 1.0
C A:ILE306 5.0 50.4 1.0

Iodine binding site 6 out of 13 in 4gn6

Go back to Iodine Binding Sites List in 4gn6
Iodine binding site 6 out of 13 in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A 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 Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I613

b:65.1
occ:1.00
 N A:THR560 3.7 57.0 1.0
NE A:ARG397 4.0 47.0 1.0
N A:LYS561 4.0 60.5 1.0
CG2 A:ILE559 4.0 55.2 1.0
CA A:ILE559 4.0 56.9 1.0
CG A:GLU363 4.1 66.9 1.0
O A:GLU363 4.1 62.8 1.0
OG1 A:THR560 4.2 54.2 1.0
CA A:GLU363 4.3 63.1 1.0
NH2 A:ARG397 4.3 50.0 1.0
CD A:LYS561 4.3 76.6 1.0
CB A:GLU363 4.3 64.9 1.0
C A:ILE559 4.4 57.5 1.0
CB A:LYS561 4.4 68.9 1.0
CB A:ILE559 4.5 56.1 1.0
CE2 A:TYR365 4.5 57.9 1.0
CG A:LYS561 4.6 72.5 1.0
C A:GLU363 4.6 61.7 1.0
CZ A:ARG397 4.6 47.8 1.0
CA A:THR560 4.6 58.8 1.0
O A:HIS558 4.7 58.7 1.0
CG1 A:ILE559 4.7 56.5 1.0
CA A:LYS561 4.8 64.1 1.0
C A:THR560 4.8 60.2 1.0
CD A:ARG397 4.9 48.2 1.0
O A:LYS561 4.9 62.6 1.0
CE A:LYS561 5.0 80.1 1.0

Iodine binding site 7 out of 13 in 4gn6

Go back to Iodine Binding Sites List in 4gn6
Iodine binding site 7 out of 13 in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A 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 Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I614

b:71.0
occ:0.50
 N A:PHE567 3.5 47.4 1.0
N A:ALA566 3.6 53.6 1.0
C A:HIS565 3.7 56.7 1.0
CD2 A:PHE567 3.7 46.0 1.0
CA A:HIS565 3.8 59.2 1.0
CB A:HIS565 3.8 60.6 1.0
CB A:PHE567 3.9 46.6 1.0
CB A:ASP311 4.1 49.1 1.0
CG A:PHE567 4.3 45.5 1.0
CA A:PHE567 4.3 48.5 1.0
O A:HIS565 4.3 57.2 1.0
CG A:ASP311 4.4 50.4 1.0
O A:HOH713 4.5 54.4 1.0
CA A:ALA566 4.5 51.5 1.0
C A:ALA566 4.5 50.6 1.0
N A:GLN568 4.6 52.5 1.0
OD1 A:ASP311 4.7 53.1 1.0
CE2 A:PHE567 4.7 46.0 1.0
OD2 A:ASP311 4.8 51.4 1.0
CG A:HIS565 4.9 61.6 1.0
CA A:ASP311 4.9 49.1 1.0
C A:PHE567 4.9 50.0 1.0
ND1 A:HIS565 4.9 61.5 1.0
O A:ASP311 5.0 48.9 1.0
CB A:ALA566 5.0 51.8 1.0

Iodine binding site 8 out of 13 in 4gn6

Go back to Iodine Binding Sites List in 4gn6
Iodine binding site 8 out of 13 in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A 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 Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I615

b:73.6
occ:0.50
 O A:HOH865 3.2 55.0 1.0
CG2 A:ILE387 3.9 56.4 1.0
CZ A:PHE229 4.0 54.9 1.0
CE2 A:PHE229 4.1 54.7 1.0
CG2 A:VAL246 4.6 52.7 1.0
CE A:LYS388 4.7 73.4 1.0
CB A:ALA219 4.7 57.1 1.0
OE1 A:GLU218 4.8 72.8 1.0

Iodine binding site 9 out of 13 in 4gn6

Go back to Iodine Binding Sites List in 4gn6
Iodine binding site 9 out of 13 in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A 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 Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I616

b:76.3
occ:1.00
 N A:THR425 3.4 65.5 1.0
CA A:PRO236 3.7 52.6 1.0
CB A:PRO236 4.0 51.9 1.0
N A:PRO236 4.0 55.2 1.0
CA A:THR425 4.1 70.0 1.0
CB A:PRO234 4.1 74.8 1.0
CB A:PHE239 4.1 52.3 1.0
CG A:PRO236 4.2 55.0 1.0
C A:SER235 4.3 58.2 1.0
O A:SER235 4.4 60.2 1.0
CG A:PHE239 4.4 53.2 1.0
CA A:PRO424 4.4 59.7 1.0
C A:PRO424 4.4 61.9 1.0
CG A:PRO234 4.4 76.0 1.0
CD1 A:PHE239 4.5 54.8 1.0
O A:PRO234 4.6 68.7 1.0
CD A:PRO236 4.7 54.5 1.0
C A:THR425 4.7 71.9 1.0
C A:PRO234 4.7 70.3 1.0
O A:THR425 4.9 75.9 1.0
CZ A:PHE422 4.9 48.7 1.0
CB A:PRO424 4.9 59.3 1.0
C A:PRO236 5.0 49.7 1.0

Iodine binding site 10 out of 13 in 4gn6

Go back to Iodine Binding Sites List in 4gn6
Iodine binding site 10 out of 13 in the Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A 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 Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I617

b:65.0
occ:0.50
 OG1 A:THR463 3.4 52.5 1.0
N A:LYS462 3.6 52.3 1.0
CA A:GLY466 3.9 52.4 1.0
O A:HOH789 3.9 61.1 1.0
CA A:PRO461 4.0 50.1 1.0
N A:THR463 4.1 55.8 1.0
C A:PRO461 4.3 50.0 1.0
CA A:LYS462 4.5 55.2 1.0
N A:GLY466 4.5 52.8 1.0
CB A:THR463 4.6 54.4 1.0
CB A:PRO461 4.6 51.1 1.0
CB A:LYS462 4.7 56.4 1.0
CG2 A:THR463 4.7 53.6 1.0
C A:LYS462 4.8 54.8 1.0
O A:GLN460 4.9 53.7 1.0
CA A:THR463 5.0 54.6 1.0
CG A:LYS462 5.0 58.7 1.0

Reference:

N.Pandey, A.K.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Structure of Paracetamol Bound Bovine Lactoperoxidase at 2.45A Resolution To Be Published.
Page generated: Sun Dec 13 19:32:49 2020

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