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Iodine in PDB 6m7e: Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.

Enzymatic activity of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.

All present enzymatic activity of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.:
1.11.1.7;

Protein crystallography data

The structure of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity., PDB code: 6m7e was solved by A.Maurya, V.Viswanathan, 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) 43.95 / 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 (%) 18.4 / 26.9

Other elements in 6m7e:

The structure of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. also contains other interesting chemical elements:

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

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iodine atom in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. (pdb code 6m7e). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 16 binding sites of Iodine where determined in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity., PDB code: 6m7e:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 16 in 6m7e

Go back to Iodine Binding Sites List in 6m7e
Iodine binding site 1 out of 16 in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I608

b:56.2
occ:1.00
 O A:HOH749 3.1 52.2 1.0
N A:TRP46 3.5 49.4 1.0
N A:VAL342 3.5 38.2 1.0
CH2 A:TRP452 3.6 38.3 1.0
CB A:ASN341 3.8 43.0 1.0
CZ2 A:TRP452 3.9 42.9 1.0
N A:ASN341 3.9 38.6 1.0
O A:ALA44 3.9 44.2 1.0
CB A:VAL342 4.0 38.0 1.0
CA A:ARG45 4.0 50.2 1.0
CG1 A:VAL342 4.0 39.1 1.0
N A:LEU47 4.1 44.3 1.0
CB A:TRP46 4.2 47.8 1.0
CA A:ASN341 4.2 39.0 1.0
C A:ARG45 4.2 53.4 1.0
CD A:ARG45 4.3 49.8 1.0
O A:LEU47 4.3 54.5 1.0
CA A:TRP46 4.3 49.6 1.0
C A:ASN341 4.3 38.6 1.0
CA A:VAL342 4.3 37.6 1.0
CB A:SER340 4.6 40.0 1.0
C A:TRP46 4.8 49.7 1.0
C A:SER340 4.8 38.6 1.0
SD A:MET446 4.8 54.0 1.0
CE A:MET446 4.8 59.9 1.0
CB A:ARG45 4.8 52.9 1.0
C A:ALA44 4.8 43.5 1.0
CZ3 A:TRP452 4.8 36.0 1.0
CG A:TRP46 4.8 49.4 1.0
N A:ARG45 4.9 45.8 1.0
NH1 A:ARG45 4.9 48.1 1.0

Iodine binding site 2 out of 16 in 6m7e

Go back to Iodine Binding Sites List in 6m7e
Iodine binding site 2 out of 16 in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I609

b:78.2
occ:1.00
 O A:HOH863 3.6 68.7 1.0
ND2 A:ASN80 3.7 42.9 1.0
CG A:PRO145 3.7 57.2 1.0
CB A:ASN80 3.9 45.9 1.0
CG A:GLU77 4.0 64.9 1.0
CE A:LYS81 4.0 60.2 1.0
CB A:PRO145 4.2 59.2 1.0
CG A:ASN80 4.3 46.7 1.0
CA A:GLU77 4.6 54.5 1.0
CG A:LYS81 4.7 57.4 1.0
CD A:LYS81 4.7 62.8 1.0
CB A:GLU77 4.8 60.6 1.0
CD A:GLU77 4.8 68.6 1.0
NZ A:LYS81 4.9 58.6 1.0
O A:GLU77 4.9 50.5 1.0
C A:ASN147 4.9 73.4 1.0
O A:ASN147 4.9 67.7 1.0

Iodine binding site 3 out of 16 in 6m7e

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Iodine binding site 3 out of 16 in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I610

b:51.1
occ:0.57
 N A:PHE229 3.7 45.7 1.0
OD1 A:ASN216 3.8 54.5 1.0
N A:GLN217 3.9 54.2 1.0
CG A:ASN216 4.0 54.4 1.0
CG A:GLU218 4.1 67.2 1.0
CD2 A:PHE229 4.2 52.5 1.0
CA A:ASN216 4.2 52.0 1.0
CA A:PRO228 4.3 47.8 1.0
CB A:PHE229 4.3 47.8 1.0
ND2 A:ASN216 4.4 55.4 1.0
C A:PRO228 4.5 49.3 1.0
CA A:PHE229 4.6 46.9 1.0
C A:ASN216 4.6 49.8 1.0
CB A:PRO228 4.6 45.1 1.0
N A:GLU218 4.6 57.9 1.0
CG A:PHE229 4.6 50.2 1.0
CB A:ASN216 4.7 49.4 1.0
CB A:GLN217 4.8 58.8 1.0
ND2 A:ASN231 4.8 70.8 1.0
CA A:GLN217 4.8 58.4 1.0
O A:PHE229 4.9 56.4 1.0
O A:VAL215 5.0 59.7 1.0
OE2 A:GLU218 5.0 79.3 1.0

Iodine binding site 4 out of 16 in 6m7e

Go back to Iodine Binding Sites List in 6m7e
Iodine binding site 4 out of 16 in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I611

b:61.3
occ:1.00
 NE1 A:TRP530 3.6 63.1 1.0
CZ2 A:TRP530 3.8 60.0 1.0
CB A:PHE309 3.9 46.8 1.0
CE2 A:TRP530 4.1 61.7 1.0
CZ2 A:TRP529 4.3 57.7 1.0
CA A:ILE306 4.4 56.7 1.0
N A:ARG310 4.4 53.7 1.0
O A:ILE306 4.6 55.0 1.0
CB A:ARG310 4.6 53.9 1.0
C A:PHE309 4.6 49.1 1.0
O A:GLN305 4.6 59.6 1.0
CG1 A:ILE306 4.7 60.1 1.0
CD1 A:TRP530 4.8 62.5 1.0
CA A:PHE309 4.8 49.1 1.0
CA A:ARG310 4.9 52.1 1.0
CB A:ILE306 5.0 55.2 1.0

Iodine binding site 5 out of 16 in 6m7e

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Iodine binding site 5 out of 16 in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I612

b:71.0
occ:0.48
 CG2 A:ILE387 3.7 65.0 1.0
CZ A:PHE229 4.1 50.5 1.0
CE2 A:PHE229 4.2 48.8 1.0
CB A:ALA219 4.5 61.1 1.0
O A:GLU218 4.6 72.2 1.0
CB A:GLU218 4.7 61.4 1.0
CG2 A:VAL246 4.8 52.1 1.0
CE A:LYS388 4.8 87.6 1.0
CB A:ILE387 5.0 65.7 1.0

Iodine binding site 6 out of 16 in 6m7e

Go back to Iodine Binding Sites List in 6m7e
Iodine binding site 6 out of 16 in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I613

b:56.5
occ:0.58
 N A:THR425 3.6 84.8 1.0
CA A:PRO236 3.7 53.9 1.0
CB A:PRO236 3.9 51.2 1.0
N A:PRO236 4.0 57.0 1.0
CB A:PHE239 4.2 56.9 1.0
CA A:THR425 4.3 92.7 1.0
CB A:PRO234 4.3 95.2 1.0
CD2 A:PHE239 4.3 59.6 1.0
C A:SER235 4.3 62.6 1.0
CG A:PHE239 4.4 58.3 1.0
CA A:PRO424 4.4 69.3 1.0
O A:SER235 4.4 71.1 1.0
C A:PRO424 4.5 70.9 1.0
CD A:PRO236 4.6 54.0 1.0
O A:PRO234 4.7 74.2 1.0
C A:PRO234 4.7 84.6 1.0
CG A:PRO236 4.7 56.9 1.0
CB A:PRO424 4.8 67.1 1.0
C A:THR425 4.8 90.3 1.0
CG A:PRO234 4.9 97.5 1.0
CZ A:PHE422 4.9 55.6 1.0
O A:THR425 5.0 93.4 1.0
C A:PRO236 5.0 50.3 1.0

Iodine binding site 7 out of 16 in 6m7e

Go back to Iodine Binding Sites List in 6m7e
Iodine binding site 7 out of 16 in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I614

b:70.5
occ:0.63
 CD2 A:HIS377 3.6 47.0 1.0
NE2 A:HIS377 3.8 46.1 1.0
CD2 A:HIS429 3.8 69.2 1.0
NE2 A:HIS429 3.9 64.9 1.0
CG A:HIS429 4.0 60.5 1.0
CE1 A:HIS429 4.2 65.7 1.0
ND1 A:HIS429 4.3 64.5 1.0
CG2 A:THR378 4.3 47.7 1.0
CA A:THR378 4.6 48.0 1.0
CB A:HIS429 4.6 54.7 1.0
O A:HIS377 4.8 55.8 1.0
CB A:THR378 4.9 46.7 1.0
CG A:HIS377 4.9 45.1 1.0

Iodine binding site 8 out of 16 in 6m7e

Go back to Iodine Binding Sites List in 6m7e
Iodine binding site 8 out of 16 in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I615

b:72.6
occ:0.40
 N A:ALA225 3.3 55.3 1.0
CB A:ALA225 3.6 55.4 1.0
CG A:ARG271 4.0 47.6 1.0
CA A:LEU224 4.0 62.5 1.0
NH2 A:ARG278 4.1 69.6 1.0
CD2 A:LEU224 4.1 59.9 1.0
CA A:ALA225 4.1 54.9 1.0
C A:LEU224 4.2 53.5 1.0
CB A:ARG271 4.3 50.4 1.0
CD A:ARG271 4.4 49.7 1.0
CB A:LEU224 4.4 63.0 1.0
O A:HOH772 4.7 72.0 1.0
NE A:ARG271 4.7 48.0 1.0
CA A:ARG271 4.7 52.6 1.0
CG A:LEU224 4.9 62.3 1.0

Iodine binding site 9 out of 16 in 6m7e

Go back to Iodine Binding Sites List in 6m7e
Iodine binding site 9 out of 16 in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I616

b:70.6
occ:0.30
 OD1 A:ASN419 3.5 46.5 1.0
ND2 A:ASN419 3.6 41.1 1.0
CG A:ASN419 3.7 43.8 1.0
CB A:PRO149 3.8 54.9 1.0
CG A:PRO149 3.9 58.3 1.0
NH2 A:ARG76 3.9 49.1 1.0
CD A:PRO149 4.5 54.1 1.0
O A:HOH832 4.6 59.1 1.0
CG A:LYS150 4.7 59.6 1.0
CB A:ASN419 4.8 46.2 1.0
CE A:LYS150 4.9 56.4 1.0

Iodine binding site 10 out of 16 in 6m7e

Go back to Iodine Binding Sites List in 6m7e
Iodine binding site 10 out of 16 in the Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I624

b:82.5
occ:0.45
 I A:IOD625 2.8 62.2 0.6
I A:IOD626 3.0 79.8 0.6
CG A:GLU258 3.8 45.9 1.0
CMA A:HEM602 3.9 44.8 1.0
CZ A:PHE381 4.0 50.2 1.0
CB A:GLU258 4.1 43.0 1.0
CG A:ARG255 4.3 41.0 1.0
C3A A:HEM602 4.5 42.9 1.0
CB A:ARG255 4.5 41.0 1.0
NE2 A:GLN423 4.7 60.1 1.0
CE1 A:PHE381 4.7 48.4 1.0
CE2 A:PHE381 4.9 48.8 1.0
CD A:ARG255 4.9 40.3 1.0

Reference:

A.Maurya, V.Viswanathan, N.Pandey, A.K.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Structure of Bovine Lactoperoxidase with Multiple Iodide Ions in the Distaline Heme Cavity. To Be Published.
Page generated: Sun Aug 11 23:36:08 2024

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