Iodine in PDB 7dlq: Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution

Enzymatic activity of Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution, PDB code: 7dlq was solved by P.K.Singh, P.Sharma, A.Bhushan, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.57 / 1.77
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.231, 79.837, 77.548, 90.00, 102.67, 90.00
R / Rfree (%) 18.7 / 22.6

Other elements in 7dlq:

The structure of Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution also contains other interesting chemical elements:

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

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution (pdb code 7dlq). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 19 binding sites of Iodine where determined in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution, PDB code: 7dlq:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 19 in 7dlq

Go back to Iodine Binding Sites List in 7dlq
Iodine binding site 1 out of 19 in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A 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 Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I604

b:17.6
occ:0.82
 O A:HOH953 3.3 19.1 1.0
N A:TRP46 3.4 19.0 1.0
N A:VAL342 3.5 14.5 1.0
CH2 A:TRP452 3.7 15.4 1.0
CA A:ARG45 3.9 18.9 1.0
CB A:ASN341 3.9 19.2 1.0
CZ2 A:TRP452 3.9 14.8 1.0
CB A:VAL342 3.9 16.9 1.0
O A:ALA44 3.9 18.2 1.0
N A:ASN341 4.0 16.9 1.0
CG1 A:VAL342 4.1 17.9 1.0
C A:ARG45 4.1 20.0 1.0
N A:LEU47 4.1 18.5 1.0
CE A:MET446 4.2 21.6 1.0
O A:LEU47 4.2 18.4 1.0
CA A:VAL342 4.3 15.6 1.0
CB A:TRP46 4.3 19.0 1.0
CA A:ASN341 4.3 16.1 1.0
C A:ASN341 4.3 17.1 1.0
CD A:ARG45 4.3 20.8 1.0
CA A:TRP46 4.3 18.2 1.0
CB A:SER340 4.5 16.7 1.0
CB A:ARG45 4.7 20.0 1.0
C A:TRP46 4.8 20.1 1.0
C A:ALA44 4.8 18.6 1.0
NH1 A:ARG45 4.8 20.9 1.0
N A:ARG45 4.8 16.9 1.0
CG A:TRP46 4.8 19.1 1.0
C A:SER340 4.9 15.0 1.0
SD A:MET446 4.9 21.3 1.0
CZ3 A:TRP452 4.9 15.6 1.0
CG A:ARG45 5.0 20.8 1.0

Iodine binding site 2 out of 19 in 7dlq

Go back to Iodine Binding Sites List in 7dlq
Iodine binding site 2 out of 19 in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A 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 Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I605

b:29.5
occ:0.84
 O A:HOH1154 3.0 51.9 1.0
O A:HOH1006 3.5 32.3 1.0
ND2 A:ASN80 3.5 26.1 1.0
O A:HOH1267 3.7 37.9 1.0
CG A:PRO145 3.8 24.0 1.0
CB A:ASN80 3.9 21.6 1.0
CG A:GLU77 4.2 25.2 1.0
CE A:LYS81 4.3 30.1 1.0
CG A:ASN80 4.3 22.0 1.0
CB A:PRO145 4.3 24.5 1.0
CG A:LYS81 4.5 25.4 1.0
CA A:GLU77 4.7 21.9 1.0
O A:HOH1213 4.7 52.6 1.0
CB A:ASN147 4.7 37.2 1.0
CD A:LYS81 4.8 28.3 1.0
CB A:GLU77 4.9 22.6 1.0
N A:ASP148 4.9 27.4 1.0
O A:GLU77 4.9 19.2 1.0
CD A:GLU77 4.9 31.4 1.0
C A:ASN147 5.0 34.5 1.0

Iodine binding site 3 out of 19 in 7dlq

Go back to Iodine Binding Sites List in 7dlq
Iodine binding site 3 out of 19 in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A 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 Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I606

b:41.5
occ:0.47
 NH1 A:ARG96 3.5 23.0 1.0
O A:HOH1239 3.5 38.0 1.0
NH2 A:ARG96 3.5 21.1 1.0
O A:HOH1350 3.7 40.8 1.0
CZ A:ARG96 4.0 23.2 1.0
NH1 A:ARG506 4.0 23.3 1.0
CA A:ARG504 4.1 27.9 1.0
O A:HOH833 4.1 30.8 1.0
NH2 A:ARG506 4.2 28.1 1.0
O A:ARG504 4.2 24.5 1.0
C A:ARG504 4.3 23.2 1.0
CZ A:ARG506 4.5 26.8 1.0
CB A:ARG504 4.8 32.9 1.0
CG A:ARG504 4.9 41.0 1.0
CB A:ASN95 4.9 30.3 1.0

Iodine binding site 4 out of 19 in 7dlq

Go back to Iodine Binding Sites List in 7dlq
Iodine binding site 4 out of 19 in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A 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 Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I607

b:36.4
occ:0.74
 O A:HOH988 3.2 49.8 1.0
O A:HOH766 3.5 36.0 1.0
N A:PHE229 3.7 29.5 1.0
N A:GLN217 3.7 33.3 1.0
OD1 A:ASN216 4.0 31.1 1.0
CG A:ASN216 4.0 36.3 1.0
ND2 A:ASN216 4.1 35.9 1.0
CA A:ASN216 4.1 30.9 1.0
CA A:PRO228 4.2 27.8 1.0
CD2 A:PHE229 4.3 29.8 1.0
CB A:PHE229 4.4 31.2 1.0
C A:ASN216 4.4 29.5 1.0
CB A:PRO228 4.5 27.9 1.0
C A:PRO228 4.5 29.9 1.0
CA A:PHE229 4.6 30.6 1.0
OD1 A:ASN231 4.6 57.7 1.0
CB A:ASN216 4.7 31.3 1.0
CG A:GLU218 4.7 52.7 1.0
CG A:PHE229 4.7 31.1 1.0
CD A:GLU218 4.7 58.5 1.0
N A:GLU218 4.8 38.6 1.0
CA A:GLN217 4.8 38.1 1.0
O A:PHE229 4.8 32.8 1.0
CB A:GLN217 4.8 39.9 1.0
OE2 A:GLU218 4.9 68.9 1.0
O A:VAL215 4.9 30.7 1.0

Iodine binding site 5 out of 19 in 7dlq

Go back to Iodine Binding Sites List in 7dlq
Iodine binding site 5 out of 19 in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A 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 Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I608

b:26.9
occ:1.00
 O A:HOH917 3.4 39.5 1.0
NE1 A:TRP530 3.6 23.9 1.0
O A:HOH745 3.7 28.9 1.0
O A:HOH940 3.8 30.0 1.0
CB A:PHE309 3.9 19.5 1.0
O A:HOH1281 4.0 39.7 1.0
CZ2 A:TRP530 4.0 24.8 1.0
CE2 A:TRP530 4.2 25.8 1.0
N A:ARG310 4.2 19.6 1.0
CA A:ILE306 4.4 18.9 1.0
CZ2 A:TRP529 4.5 25.7 1.0
CB A:ARG310 4.5 22.5 1.0
C A:PHE309 4.5 19.4 1.0
O A:HOH1215 4.5 41.6 1.0
CG1 A:ILE306 4.7 22.6 1.0
CA A:ARG310 4.7 22.0 1.0
O A:ILE306 4.7 18.1 1.0
CA A:PHE309 4.8 18.8 1.0
O A:GLN305 4.8 17.0 1.0
CD1 A:TRP530 4.8 25.9 1.0
CB A:ILE306 5.0 19.7 1.0

Iodine binding site 6 out of 19 in 7dlq

Go back to Iodine Binding Sites List in 7dlq
Iodine binding site 6 out of 19 in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A 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 Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I609

b:32.2
occ:0.48
 O A:HOH746 3.3 32.0 1.0
N A:PHE567 3.5 21.2 1.0
N A:ALA566 3.7 22.7 1.0
CA A:HIS565 3.8 26.4 1.0
C A:HIS565 3.8 22.4 1.0
CB A:PHE567 3.8 21.8 1.0
CD2 A:PHE567 3.8 24.9 1.0
CG A:PHE567 4.0 22.5 1.0
O A:HOH787 4.1 33.3 1.0
CB A:ASP311 4.1 22.8 1.0
CB A:HIS565 4.1 30.5 1.0
CA A:PHE567 4.2 22.5 1.0
O A:HOH821 4.3 30.0 1.0
CG A:ASP311 4.3 28.5 1.0
O A:HIS565 4.4 26.2 1.0
O A:HOH1186 4.4 51.6 1.0
O A:HOH991 4.5 32.5 1.0
C A:ALA566 4.5 21.1 1.0
CA A:ALA566 4.6 19.8 1.0
OD2 A:ASP311 4.7 27.4 1.0
OD1 A:ASP311 4.7 25.3 1.0
CE2 A:PHE567 4.7 25.9 1.0
ND1 A:HIS565 4.7 34.8 1.0
O A:HOH885 4.8 25.4 1.0
N A:GLN568 4.8 23.8 1.0
CG A:HIS565 4.9 35.5 1.0
CA A:ASP311 4.9 22.0 1.0
C A:PHE567 5.0 23.6 1.0

Iodine binding site 7 out of 19 in 7dlq

Go back to Iodine Binding Sites List in 7dlq
Iodine binding site 7 out of 19 in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A 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 Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I610

b:55.3
occ:0.55
 CZ A:PHE229 3.9 31.3 1.0
CE2 A:PHE229 4.0 31.3 1.0
CG2 A:ILE387 4.0 45.4 1.0
CB A:ALA219 4.3 34.0 1.0
NZ A:LYS388 4.7 59.5 1.0
O A:GLU218 4.7 41.6 1.0
O A:HOH1160 4.7 47.7 1.0
CG2 A:VAL246 4.8 32.3 1.0
CB A:ILE387 4.9 42.4 1.0
CB A:GLU218 5.0 43.4 1.0

Iodine binding site 8 out of 19 in 7dlq

Go back to Iodine Binding Sites List in 7dlq
Iodine binding site 8 out of 19 in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A 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 Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I611

b:38.5
occ:0.46
 O A:HOH1083 3.0 46.2 1.0
O A:HOH757 3.0 34.0 1.0
N A:ALA225 3.4 29.6 1.0
O A:HOH1128 3.5 38.9 1.0
CB A:ALA225 3.9 28.9 1.0
CG A:ARG271 4.0 23.5 1.0
O A:HOH897 4.0 26.8 1.0
CA A:LEU224 4.0 31.4 1.0
CD A:ARG271 4.2 25.1 1.0
C A:LEU224 4.2 29.7 1.0
CB A:LEU224 4.3 31.3 1.0
CA A:ALA225 4.3 28.3 1.0
CD2 A:LEU224 4.3 35.9 1.0
CB A:ARG271 4.4 22.4 1.0
NH2 A:ARG278 4.4 37.0 1.0
NE A:ARG271 4.6 25.0 1.0
CA A:ARG271 4.9 24.7 1.0
CG A:LEU224 4.9 33.4 1.0
O A:HOH1295 5.0 43.0 1.0

Iodine binding site 9 out of 19 in 7dlq

Go back to Iodine Binding Sites List in 7dlq
Iodine binding site 9 out of 19 in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A 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 Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I612

b:37.3
occ:0.43
 O A:HOH1235 2.9 46.9 1.0
OG A:SER359 3.2 27.2 1.0
CB A:SER359 3.7 24.3 1.0
NZ A:LYS402 3.9 32.1 1.0
CD2 A:LEU361 3.9 26.8 1.0
CG A:PRO367 4.0 34.2 1.0
CB A:ALA372 4.1 30.7 1.0
CB A:GLU373 4.2 27.7 1.0
CB A:PRO367 4.2 32.4 1.0
CE A:LYS402 4.3 27.7 1.0
CA A:PRO367 4.4 31.4 1.0
N A:GLU373 4.5 27.7 1.0
O A:ARG360 4.7 26.2 1.0
C A:ALA372 4.7 28.0 1.0
CA A:GLU373 4.7 25.4 1.0
O A:HOH866 4.7 43.9 1.0
CD A:PRO367 4.7 33.3 1.0
CA A:SER359 4.8 24.0 1.0
N A:PRO367 4.9 33.9 1.0
CG A:GLU373 4.9 29.9 1.0
OE1 A:GLU373 4.9 40.5 1.0
CD A:GLU373 5.0 35.6 1.0

Iodine binding site 10 out of 19 in 7dlq

Go back to Iodine Binding Sites List in 7dlq
Iodine binding site 10 out of 19 in the Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I613

b:33.2
occ:0.38
 C A:OSM619 0.7 37.0 0.4
N A:OSM619 1.5 36.2 0.4
S A:OSM619 1.5 38.6 0.4
O A:OSM619 2.7 33.3 0.4
O A:HOH907 3.1 32.2 1.0
CD A:ARG31 3.8 39.1 1.0
CE2 A:TYR331 4.0 24.6 1.0
ND2 A:ASN333 4.1 36.1 1.0
NH1 A:ARG31 4.1 48.8 1.0
CD A:ARG527 4.3 23.7 1.0
CG A:ARG31 4.4 34.0 1.0
O A:HOH1276 4.5 45.0 1.0
CB A:ARG31 4.5 29.2 1.0
O A:HOH1093 4.5 36.4 1.0
NE A:ARG31 4.6 42.1 1.0
CD2 A:TYR331 4.7 24.9 1.0
CZ A:ARG31 4.7 44.7 1.0
CB A:ASN333 4.9 27.7 1.0
OH A:TYR331 4.9 22.6 1.0
CZ A:TYR331 5.0 21.9 1.0

Reference:

P.K.Singh, P.Sharma, A.Bhushan, S.Sharma, T.P.Singh. Crystal Structure of the Complex of Lactoperoxidase with Hydrogen Peroxide at 1.77A Resolution To Be Published.
Page generated: Thu Dec 17 11:49:56 2020

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