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Iodine in PDB 3v6q: Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution

Enzymatic activity of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution, PDB code: 3v6q was solved by S.Yamini, A.K.Singh, N.Pandey, 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) 44.13 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.300, 80.004, 76.551, 90.00, 103.02, 90.00
R / Rfree (%) 19.1 / 24.8

Other elements in 3v6q:

The structure of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution also contains other interesting chemical elements:

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

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution (pdb code 3v6q). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution, PDB code: 3v6q:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in 3v6q

Go back to Iodine Binding Sites List in 3v6q
Iodine binding site 1 out of 9 in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I607

b:23.8
occ:1.00
 N A:TRP46 3.4 21.9 1.0
N A:VAL342 3.4 23.0 1.0
O A:HOH741 3.5 24.7 1.0
CH2 A:TRP452 3.7 19.7 1.0
CB A:ASN341 3.7 23.9 1.0
CZ2 A:TRP452 3.8 22.3 1.0
CB A:VAL342 3.8 23.5 1.0
CG1 A:VAL342 3.8 25.5 1.0
N A:ASN341 3.9 21.7 1.0
CA A:ARG45 4.0 21.9 1.0
O A:ALA44 4.0 23.0 1.0
CE A:MET446 4.1 25.0 1.0
C A:ARG45 4.2 23.8 1.0
N A:LEU47 4.2 23.2 1.0
CA A:ASN341 4.2 23.4 1.0
CA A:VAL342 4.2 23.1 1.0
CB A:TRP46 4.2 24.7 1.0
C A:ASN341 4.3 24.7 1.0
CD A:ARG45 4.3 23.6 1.0
CA A:TRP46 4.4 23.8 1.0
O A:LEU47 4.4 24.3 1.0
CB A:SER340 4.4 15.7 1.0
C A:SER340 4.8 21.2 1.0
C A:TRP46 4.8 23.9 1.0
NH1 A:ARG45 4.8 20.6 1.0
OG A:SER340 4.9 22.4 1.0
SD A:MET446 4.9 26.0 1.0
CG A:TRP46 4.9 23.4 1.0
C A:ALA44 4.9 22.9 1.0
CZ3 A:TRP452 4.9 20.7 1.0
CB A:ARG45 4.9 25.1 1.0
N A:ARG45 4.9 22.6 1.0

Iodine binding site 2 out of 9 in 3v6q

Go back to Iodine Binding Sites List in 3v6q
Iodine binding site 2 out of 9 in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I608

b:34.7
occ:1.00
 O A:HOH1127 3.0 47.6 1.0
ND2 A:ASN80 3.7 29.9 1.0
O A:HOH731 3.8 46.8 1.0
CG A:PRO145 3.8 33.0 1.0
CB A:ASN80 3.9 24.9 1.0
CE A:LYS81 4.1 35.5 1.0
CB A:PRO145 4.2 35.8 1.0
CG A:GLU77 4.2 28.7 1.0
CG A:LYS81 4.3 29.3 1.0
CG A:ASN80 4.3 24.1 1.0
CD A:LYS81 4.6 34.8 1.0
CA A:GLU77 4.7 25.8 1.0
NZ A:LYS81 4.8 37.2 1.0
O A:GLU77 4.8 26.1 1.0
CB A:GLU77 4.8 26.4 1.0
CD A:GLU77 4.9 34.0 1.0
CB A:ASN147 5.0 44.0 1.0

Iodine binding site 3 out of 9 in 3v6q

Go back to Iodine Binding Sites List in 3v6q
Iodine binding site 3 out of 9 in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I609

b:36.3
occ:1.00
 O A:PRO424 3.2 49.6 1.0
CA A:PRO236 3.6 34.3 1.0
CB A:PRO236 3.8 33.8 1.0
N A:PRO236 3.9 36.1 1.0
C A:PRO424 3.9 46.2 1.0
C A:SER235 4.1 38.1 1.0
CB A:PHE239 4.2 37.3 1.0
O A:SER235 4.2 37.5 1.0
O A:PRO234 4.3 45.1 1.0
CD A:PRO236 4.4 35.4 1.0
CG A:PHE239 4.4 37.8 1.0
CA A:PRO424 4.5 44.1 1.0
C A:PRO234 4.6 44.9 1.0
CA A:THR425 4.6 48.4 1.0
CG A:PRO236 4.6 35.2 1.0
CD1 A:PHE239 4.7 40.8 1.0
N A:THR425 4.7 47.4 1.0
CB A:PRO234 4.8 46.2 1.0
N A:SER235 4.8 41.8 1.0
CA A:SER235 5.0 39.7 1.0
CD2 A:PHE239 5.0 39.5 1.0
CB A:PRO424 5.0 43.6 1.0
C A:PRO236 5.0 32.7 1.0

Iodine binding site 4 out of 9 in 3v6q

Go back to Iodine Binding Sites List in 3v6q
Iodine binding site 4 out of 9 in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I610

b:31.2
occ:1.00
 O A:HOH760 3.6 29.6 1.0
NE1 A:TRP530 3.6 27.7 1.0
CB A:PHE309 4.0 26.2 1.0
CZ2 A:TRP530 4.1 28.7 1.0
CE2 A:TRP530 4.2 27.8 1.0
N A:ARG310 4.3 27.6 1.0
CB A:ARG310 4.5 28.6 1.0
CA A:ILE306 4.5 28.3 1.0
CZ2 A:TRP529 4.5 25.7 1.0
O A:HOH1013 4.6 51.9 1.0
C A:PHE309 4.6 26.6 1.0
CG1 A:ILE306 4.6 29.7 1.0
O A:ILE306 4.8 29.7 1.0
CA A:ARG310 4.8 28.8 1.0
CD1 A:TRP530 4.8 30.1 1.0
CA A:PHE309 4.8 26.0 1.0
O A:GLN305 4.9 24.1 1.0
OE1 A:GLU531 5.0 44.0 1.0

Iodine binding site 5 out of 9 in 3v6q

Go back to Iodine Binding Sites List in 3v6q
Iodine binding site 5 out of 9 in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I611

b:37.4
occ:1.00
 N A:THR560 3.5 39.2 1.0
CG2 A:ILE559 3.7 37.2 1.0
N A:LYS561 3.8 40.2 1.0
O A:GLU363 3.9 43.2 1.0
CA A:ILE559 4.0 38.6 1.0
NE A:ARG397 4.0 42.5 1.0
NH2 A:ARG397 4.0 44.1 1.0
CB A:LYS561 4.1 40.9 1.0
CG A:LYS561 4.1 44.0 1.0
CA A:GLU363 4.3 41.9 1.0
CE2 A:TYR365 4.3 41.0 1.0
C A:ILE559 4.3 39.5 1.0
OG1 A:THR560 4.3 38.7 1.0
CB A:ILE559 4.4 39.4 1.0
CB A:GLU363 4.4 41.9 1.0
CZ A:ARG397 4.5 42.5 1.0
C A:GLU363 4.5 41.3 1.0
CA A:LYS561 4.5 40.2 1.0
CA A:THR560 4.6 39.6 1.0
O A:LYS561 4.6 38.4 1.0
C A:THR560 4.7 39.7 1.0
OH A:TYR365 4.7 39.2 1.0
CG1 A:ILE559 4.8 37.9 1.0
O A:HIS558 4.8 39.2 1.0
CZ A:TYR365 4.9 39.5 1.0

Iodine binding site 6 out of 9 in 3v6q

Go back to Iodine Binding Sites List in 3v6q
Iodine binding site 6 out of 9 in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I612

b:35.2
occ:1.00
 N A:PHE229 3.6 33.1 1.0
O A:HOH900 3.6 41.7 1.0
N A:GLN217 3.7 39.7 1.0
OD1 A:ASN216 4.0 41.8 1.0
CA A:ASN216 4.1 37.7 1.0
CG A:ASN216 4.1 38.5 1.0
CA A:PRO228 4.1 32.2 1.0
ND2 A:ASN216 4.2 33.9 1.0
CD2 A:PHE229 4.2 34.9 1.0
C A:PRO228 4.3 33.2 1.0
C A:ASN216 4.4 38.1 1.0
CB A:PHE229 4.5 33.2 1.0
CB A:PRO228 4.6 33.5 1.0
CA A:PHE229 4.6 33.6 1.0
CB A:GLN217 4.6 42.0 1.0
N A:GLU218 4.6 43.0 1.0
CA A:GLN217 4.6 41.5 1.0
CG A:GLU218 4.6 49.2 1.0
CB A:ASN216 4.7 35.7 1.0
CG A:PHE229 4.7 34.2 1.0
O A:PHE229 4.9 33.5 1.0
CG A:GLN217 5.0 43.4 1.0

Iodine binding site 7 out of 9 in 3v6q

Go back to Iodine Binding Sites List in 3v6q
Iodine binding site 7 out of 9 in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I613

b:29.8
occ:1.00
 N A:LYS462 3.6 27.2 1.0
OG1 A:THR463 3.7 27.2 1.0
CA A:GLY466 4.0 28.0 1.0
N A:THR463 4.1 27.6 1.0
CA A:PRO461 4.2 27.5 1.0
C A:PRO461 4.4 26.9 1.0
CG2 A:THR463 4.4 26.2 1.0
CA A:LYS462 4.5 27.8 1.0
N A:GLY466 4.5 29.1 1.0
O A:HOH834 4.6 36.5 1.0
CB A:THR463 4.6 26.9 1.0
CB A:LYS462 4.6 27.9 1.0
C A:LYS462 4.8 28.6 1.0
O A:GLN460 4.9 23.7 1.0
O A:HOH792 4.9 44.8 1.0
CA A:THR463 4.9 27.7 1.0
CG A:LYS462 5.0 28.3 1.0

Iodine binding site 8 out of 9 in 3v6q

Go back to Iodine Binding Sites List in 3v6q
Iodine binding site 8 out of 9 in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I614

b:39.9
occ:1.00
 O A:HOH800 3.3 28.8 1.0
CB A:PRO149 3.5 34.6 1.0
OD1 A:ASN419 3.6 29.9 1.0
O A:HOH812 3.7 38.9 1.0
CG A:PRO149 3.7 36.5 1.0
ND2 A:ASN419 3.7 34.5 1.0
CG A:ASN419 3.8 29.8 1.0
NH2 A:ARG76 4.0 33.8 1.0
CD A:PRO149 4.3 36.0 1.0
CE A:LYS150 4.7 31.4 1.0
O A:HOH907 4.7 36.5 1.0
CA A:PRO149 4.8 35.1 1.0
CB A:ASN419 4.8 29.0 1.0
CG A:LYS150 4.9 32.4 1.0
OD1 A:ASP148 4.9 33.1 1.0
N A:LYS150 4.9 32.7 1.0
N A:PRO149 5.0 35.0 1.0

Iodine binding site 9 out of 9 in 3v6q

Go back to Iodine Binding Sites List in 3v6q
Iodine binding site 9 out of 9 in the Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I615

b:39.1
occ:1.00
 CB A:SER580 3.2 44.5 1.0
OG A:SER580 3.6 45.7 1.0
CA A:SER580 4.6 44.1 1.0

Reference:

S.Yamini, A.K.Singh, N.Pandey, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of the Complex of Bovine Lactoperoxidase with Carbon Monoxide at 2.0 A Resolution To Be Published.
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