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Iodine in PDB 4gm7: Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution.

Enzymatic activity of Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution.

All present enzymatic activity of Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution.:
1.11.1.7;

Protein crystallography data

The structure of Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution., PDB code: 4gm7 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) 43.99 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.050, 80.230, 76.040, 90.00, 103.30, 90.00
R / Rfree (%) 22.1 / 23.5

Other elements in 4gm7:

The structure of Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution. also contains other interesting chemical elements:

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

Iodine Binding Sites:

The binding sites of Iodine atom in the Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution. (pdb code 4gm7). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution., PDB code: 4gm7:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in 4gm7

Go back to Iodine Binding Sites List in 4gm7
Iodine binding site 1 out of 8 in the Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A 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 Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I607

b:90.0
occ:1.00
 N A:THR560 3.5 63.5 1.0
CA A:ILE559 3.8 59.7 1.0
NE A:ARG397 3.9 45.7 1.0
OE1 A:GLU363 3.9 71.7 1.0
CD A:LYS561 4.0 72.0 1.0
N A:LYS561 4.0 65.7 1.0
CG2 A:ILE559 4.1 57.5 1.0
O A:GLU363 4.1 57.8 1.0
C A:ILE559 4.1 61.7 1.0
OG1 A:THR560 4.2 69.5 1.0
CG A:LYS561 4.2 71.9 1.0
CB A:LYS561 4.3 70.0 1.0
NH2 A:ARG397 4.4 50.6 1.0
O A:HIS558 4.4 60.4 1.0
CA A:THR560 4.5 65.6 1.0
CB A:ILE559 4.5 57.7 1.0
CA A:GLU363 4.5 61.9 1.0
C A:THR560 4.6 65.8 1.0
CZ A:ARG397 4.6 47.2 1.0
CE2 A:TYR365 4.7 56.2 1.0
CB A:GLU363 4.7 64.5 1.0
CE A:LYS561 4.7 73.0 1.0
CA A:LYS561 4.8 67.2 1.0
C A:GLU363 4.8 59.1 1.0
CD A:ARG397 4.8 46.8 1.0
CG1 A:ILE559 4.8 58.3 1.0
CB A:THR560 4.9 66.6 1.0
OH A:TYR365 4.9 55.0 1.0
NZ A:LYS561 4.9 75.0 1.0
N A:ILE559 5.0 59.5 1.0

Iodine binding site 2 out of 8 in 4gm7

Go back to Iodine Binding Sites List in 4gm7
Iodine binding site 2 out of 8 in the Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A 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 Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I608

b:79.1
occ:1.00
 ND2 A:ASN80 3.7 43.0 1.0
CB A:ASN80 3.9 39.9 1.0
CG A:PRO145 3.9 47.5 1.0
CG A:GLU77 4.1 51.0 1.0
CB A:PRO145 4.1 49.1 1.0
CG A:ASN80 4.3 41.7 1.0
CB A:ASN147 4.5 62.4 1.0
CA A:GLU77 4.5 45.4 1.0
CE A:LYS81 4.6 47.3 1.0
CG A:LYS81 4.6 46.2 1.0
NZ A:LYS81 4.7 43.4 1.0
N A:ASP148 4.8 55.7 1.0
CB A:GLU77 4.8 47.0 1.0
O A:GLU77 4.8 44.2 1.0
C A:ASN147 4.8 59.0 1.0
N A:ASN147 4.9 60.4 1.0
CA A:ASN147 5.0 61.1 1.0

Iodine binding site 3 out of 8 in 4gm7

Go back to Iodine Binding Sites List in 4gm7
Iodine binding site 3 out of 8 in the Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A 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 Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I609

b:73.9
occ:1.00
 N A:THR425 3.3 56.2 1.0
CA A:PRO236 3.8 52.7 1.0
CG A:PRO236 3.8 54.4 1.0
N A:PRO236 3.8 56.0 1.0
CB A:PRO236 4.0 52.0 1.0
CA A:THR425 4.0 60.5 1.0
C A:SER235 4.0 57.8 1.0
O A:SER235 4.1 58.9 1.0
CB A:PHE239 4.2 47.8 1.0
C A:PRO424 4.3 50.4 1.0
CD A:PRO236 4.4 54.3 1.0
CG A:PHE239 4.4 47.6 1.0
CD1 A:PHE239 4.4 46.7 1.0
CA A:PRO424 4.4 48.3 1.0
CB A:PRO234 4.5 65.5 1.0
N A:SER235 4.7 61.5 1.0
C A:PRO234 4.8 63.9 1.0
OG1 A:THR425 4.8 64.1 1.0
CG A:PRO234 4.8 66.2 1.0
CA A:SER235 4.8 59.4 1.0
CB A:PRO424 4.9 46.9 1.0
O A:PRO234 4.9 64.3 1.0
C A:THR425 5.0 61.6 1.0

Iodine binding site 4 out of 8 in 4gm7

Go back to Iodine Binding Sites List in 4gm7
Iodine binding site 4 out of 8 in the Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A 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 Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I610

b:72.1
occ:0.50
 N A:PHE229 3.8 43.9 1.0
OD1 A:ASN216 3.8 56.6 1.0
CG A:ASN216 4.0 54.0 1.0
N A:GLN217 4.1 54.3 1.0
ND2 A:ASN216 4.1 54.1 1.0
CD2 A:PHE229 4.1 52.3 1.0
CA A:ASN216 4.3 53.5 1.0
CA A:PRO228 4.3 41.1 1.0
CB A:PRO228 4.5 39.3 1.0
OE2 A:GLU218 4.5 55.8 1.0
C A:PRO228 4.6 40.4 1.0
CB A:PHE229 4.6 48.8 1.0
CB A:ASN216 4.7 53.3 1.0
C A:ASN216 4.7 54.3 1.0
CG A:PHE229 4.7 51.2 1.0
CA A:PHE229 4.8 47.2 1.0
CG A:GLU218 4.8 58.5 1.0
O A:PHE229 4.9 48.3 1.0
N A:GLU218 4.9 56.6 1.0
CE2 A:PHE229 4.9 52.2 1.0
O A:VAL215 4.9 53.8 1.0
ND2 A:ASN231 5.0 67.8 1.0

Iodine binding site 5 out of 8 in 4gm7

Go back to Iodine Binding Sites List in 4gm7
Iodine binding site 5 out of 8 in the Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A 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 Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I611

b:72.6
occ:0.50
 N A:LYS462 3.5 44.1 1.0
OG1 A:THR463 3.6 52.2 1.0
CA A:GLY466 3.8 44.0 1.0
N A:THR463 4.0 50.3 1.0
CA A:PRO461 4.1 42.9 1.0
C A:PRO461 4.3 42.2 1.0
CA A:LYS462 4.4 47.9 1.0
O A:HOH726 4.4 49.9 1.0
CB A:LYS462 4.4 49.0 1.0
N A:GLY466 4.5 46.5 1.0
C A:LYS462 4.7 48.8 1.0
CB A:THR463 4.7 52.1 1.0
CG A:LYS462 4.7 50.0 1.0
CB A:PRO461 4.8 42.2 1.0
CA A:THR463 4.9 50.8 1.0

Iodine binding site 6 out of 8 in 4gm7

Go back to Iodine Binding Sites List in 4gm7
Iodine binding site 6 out of 8 in the Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A 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 Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I612

b:49.0
occ:1.00
 N A:TRP46 3.4 34.6 1.0
N A:VAL342 3.6 32.3 1.0
CH2 A:TRP452 3.8 34.5 1.0
CB A:ASN341 3.8 33.4 1.0
CA A:ARG45 3.8 33.7 1.0
CZ2 A:TRP452 3.9 38.6 1.0
O A:ALA44 3.9 34.5 1.0
CE A:MET446 4.0 28.4 1.0
N A:ASN341 4.0 33.1 1.0
CB A:VAL342 4.0 27.4 1.0
C A:ARG45 4.0 35.5 1.0
N A:LEU47 4.2 29.2 1.0
CG1 A:VAL342 4.2 27.9 1.0
CD A:ARG45 4.3 35.2 1.0
CB A:TRP46 4.3 34.5 1.0
CA A:ASN341 4.3 31.6 1.0
CA A:TRP46 4.3 34.8 1.0
O A:LEU47 4.4 33.2 1.0
C A:ASN341 4.4 31.9 1.0
CA A:VAL342 4.4 28.9 1.0
CB A:SER340 4.7 33.8 1.0
CB A:ARG45 4.7 33.8 1.0
NH1 A:ARG45 4.7 32.5 1.0
C A:TRP46 4.7 33.8 1.0
C A:ALA44 4.8 33.0 1.0
N A:ARG45 4.8 32.5 1.0
C A:SER340 4.9 34.3 1.0
CG A:TRP46 4.9 34.7 1.0
SD A:MET446 4.9 34.8 1.0
CZ3 A:TRP452 5.0 37.0 1.0

Iodine binding site 7 out of 8 in 4gm7

Go back to Iodine Binding Sites List in 4gm7
Iodine binding site 7 out of 8 in the Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A 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 Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I613

b:67.6
occ:1.00
 NE1 A:TRP530 3.8 48.8 1.0
CB A:PHE309 4.0 39.2 1.0
CZ2 A:TRP530 4.0 49.9 1.0
CZ2 A:TRP529 4.2 49.8 1.0
CE2 A:TRP530 4.3 49.5 1.0
CA A:ILE306 4.3 46.8 1.0
O A:GLN305 4.4 47.1 1.0
N A:ARG310 4.5 42.7 1.0
CB A:ARG310 4.6 42.5 1.0
O A:ILE306 4.7 46.7 1.0
OE1 A:GLU531 4.7 65.3 1.0
C A:PHE309 4.7 43.0 1.0
CG1 A:ILE306 4.7 49.3 1.0
CA A:PHE309 4.9 42.1 1.0
C A:GLN305 5.0 45.8 1.0
N A:ILE306 5.0 46.5 1.0
CA A:ARG310 5.0 41.9 1.0
CB A:ILE306 5.0 49.7 1.0

Iodine binding site 8 out of 8 in 4gm7

Go back to Iodine Binding Sites List in 4gm7
Iodine binding site 8 out of 8 in the Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A 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 Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I614

b:86.9
occ:1.00
 NH1 A:ARG202 3.3 51.2 1.0
CB A:LEU199 3.9 45.0 1.0
CA A:LEU199 4.0 47.1 1.0
CD1 A:LEU199 4.1 41.0 1.0
N A:LEU199 4.3 48.3 1.0
CZ A:ARG202 4.5 55.7 1.0
C A:SEP198 4.6 54.8 1.0
CD A:ARG202 4.6 54.0 1.0
CG A:LEU199 4.7 43.8 1.0
O A:SEP198 4.7 59.5 1.0

Reference:

N.Pandey, A.K.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Structure of Cinnamic Acid Bound Bovine Lactoperoxidase at 2.6A Resolution To Be Published.
Page generated: Sun Aug 11 17:46:49 2024

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