Atomistry » Iodine » PDB 3oth-3rtn » 3rke
Atomistry »
  Iodine »
    PDB 3oth-3rtn »
      3rke »

Iodine in PDB 3rke: Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution

Enzymatic activity of Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution

All present enzymatic activity of Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution, PDB code: 3rke was solved by D.Dube, R.P.Singh, M.Sinha, A.K.Singh, 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) 44.03 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.980, 80.530, 76.160, 90.00, 103.07, 90.00
R / Rfree (%) 24.5 / 26.3

Other elements in 3rke:

The structure of Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A 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 Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution (pdb code 3rke). 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 Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution, PDB code: 3rke:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in 3rke

Go back to Iodine Binding Sites List in 3rke
Iodine binding site 1 out of 9 in the Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 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 Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I597

b:17.8
occ:0.50
 N A:TRP46 3.5 33.0 1.0
N A:VAL342 3.6 26.8 1.0
CH2 A:TRP452 3.6 27.7 1.0
CB A:ASN341 3.9 27.7 1.0
CA A:ARG45 3.9 33.8 1.0
O A:ALA44 3.9 34.4 1.0
CZ2 A:TRP452 4.0 29.2 1.0
N A:ASN341 4.0 28.3 1.0
CB A:VAL342 4.0 25.5 1.0
N A:LEU47 4.1 32.5 1.0
CE A:MET446 4.1 30.9 1.0
C A:ARG45 4.1 33.8 1.0
CA A:ASN341 4.2 28.0 1.0
CG1 A:VAL342 4.3 25.6 1.0
CB A:TRP46 4.3 32.0 1.0
CA A:TRP46 4.3 32.3 1.0
C A:ASN341 4.3 27.8 1.0
CA A:VAL342 4.4 25.9 1.0
O A:LEU47 4.4 34.3 1.0
CD A:ARG45 4.6 34.6 1.0
NH1 A:ARG45 4.6 35.0 1.0
CB A:ARG45 4.7 33.7 1.0
C A:TRP46 4.7 32.6 1.0
CB A:SER340 4.8 28.7 1.0
C A:ALA44 4.8 33.6 1.0
CZ3 A:TRP452 4.8 30.3 1.0
N A:ARG45 4.9 33.6 1.0
CG A:TRP46 4.9 30.6 1.0
C A:SER340 5.0 28.4 1.0

Iodine binding site 2 out of 9 in 3rke

Go back to Iodine Binding Sites List in 3rke
Iodine binding site 2 out of 9 in the Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 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 Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I600

b:40.5
occ:0.50
 NE1 A:TRP530 3.7 49.0 1.0
CB A:PHE309 3.8 39.3 1.0
CZ2 A:TRP530 4.1 49.9 1.0
CZ2 A:TRP529 4.2 51.9 1.0
N A:ARG310 4.3 39.9 1.0
CE2 A:TRP530 4.3 50.2 1.0
CA A:ILE306 4.4 44.0 1.0
C A:PHE309 4.5 39.7 1.0
O A:GLN305 4.6 45.1 1.0
CB A:ARG310 4.6 40.5 1.0
CA A:PHE309 4.7 39.7 1.0
OE1 A:GLU531 4.7 58.2 1.0
O A:ILE306 4.7 43.2 1.0
CA A:ARG310 4.8 40.4 1.0
CD1 A:TRP530 4.9 49.7 1.0
CG A:PHE309 4.9 39.7 1.0
CG1 A:ILE306 4.9 45.3 1.0
O A:PHE309 5.0 39.9 1.0
CH2 A:TRP529 5.0 52.2 1.0

Iodine binding site 3 out of 9 in 3rke

Go back to Iodine Binding Sites List in 3rke
Iodine binding site 3 out of 9 in the Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 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 Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I601

b:63.1
occ:0.50
 OE1 A:GLU218 3.4 66.8 1.0
CD2 A:PHE229 3.8 60.3 1.0
N A:PHE229 3.8 55.4 1.0
OD1 A:ASN216 3.9 64.7 1.0
CG A:ASN216 3.9 63.0 1.0
ND2 A:ASN216 4.0 63.4 1.0
N A:GLN217 4.0 62.9 1.0
CA A:ASN216 4.2 62.6 1.0
CA A:PRO228 4.2 54.3 1.0
CB A:PRO228 4.4 54.0 1.0
CD A:GLU218 4.4 66.4 1.0
CB A:PHE229 4.5 56.5 1.0
CG A:PHE229 4.6 57.6 1.0
C A:PRO228 4.6 54.7 1.0
CE2 A:PHE229 4.6 61.0 1.0
O A:VAL215 4.6 60.9 1.0
CB A:ASN216 4.6 62.7 1.0
C A:ASN216 4.7 62.6 1.0
N A:GLU218 4.7 63.8 1.0
CA A:PHE229 4.8 56.1 1.0
O A:HOH882 4.8 52.6 1.0

Iodine binding site 4 out of 9 in 3rke

Go back to Iodine Binding Sites List in 3rke
Iodine binding site 4 out of 9 in the Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 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 Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I604

b:40.1
occ:0.50
 O A:PRO424 2.9 47.5 1.0
CB A:PHE239 3.8 45.1 1.0
CA A:PRO236 3.8 46.8 1.0
CG A:PHE239 4.0 44.0 1.0
CD1 A:PHE239 4.0 43.5 1.0
O A:SER235 4.1 49.0 1.0
C A:PRO424 4.1 47.4 1.0
N A:PRO236 4.1 47.9 1.0
CB A:PRO236 4.1 46.8 1.0
C A:SER235 4.2 49.0 1.0
CB A:PRO234 4.3 54.9 1.0
O A:HOH885 4.7 61.5 1.0
C A:PRO234 4.8 53.3 1.0
O A:PRO234 4.8 52.9 1.0
CA A:PRO424 4.8 46.3 1.0
CD A:PRO236 4.9 47.3 1.0
CD2 A:PHE239 4.9 42.4 1.0
N A:SER235 4.9 51.7 1.0
CE1 A:PHE239 5.0 42.5 1.0

Iodine binding site 5 out of 9 in 3rke

Go back to Iodine Binding Sites List in 3rke
Iodine binding site 5 out of 9 in the Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 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 Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I605

b:49.0
occ:0.50
 O A:HOH871 3.4 66.2 1.0
ND2 A:ASN80 3.6 39.7 1.0
CG A:PRO145 3.8 46.5 1.0
CB A:ASN80 3.8 37.4 1.0
CG A:GLU77 3.9 42.5 1.0
CG A:ASN80 4.2 38.1 1.0
CB A:PRO145 4.3 47.2 1.0
O A:LYS146 4.6 52.8 1.0
CG A:LYS81 4.6 39.3 1.0
O A:HOH859 4.7 63.2 1.0
CE A:LYS81 4.7 45.9 1.0
CD A:GLU77 4.7 48.0 1.0
CA A:GLU77 4.8 37.4 1.0
O A:ASN147 4.8 52.7 1.0
CB A:GLU77 4.8 37.9 1.0
O A:HOH612 4.9 63.4 1.0

Iodine binding site 6 out of 9 in 3rke

Go back to Iodine Binding Sites List in 3rke
Iodine binding site 6 out of 9 in the Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 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 Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I606

b:63.1
occ:0.50
 N A:THR560 3.5 60.7 1.0
CE A:LYS561 3.8 65.7 1.0
CA A:ILE559 3.9 60.0 1.0
NE A:ARG397 3.9 51.9 1.0
CG2 A:ILE559 4.0 60.3 1.0
O A:GLU363 4.0 61.1 1.0
NH2 A:ARG397 4.0 53.3 1.0
N A:LYS561 4.1 61.3 1.0
C A:ILE559 4.2 60.4 1.0
OG1 A:THR560 4.3 61.4 1.0
CA A:GLU363 4.3 60.8 1.0
NZ A:LYS561 4.3 66.3 1.0
CB A:GLU363 4.4 61.1 1.0
O A:HIS558 4.4 59.4 1.0
OE1 A:GLU363 4.4 67.1 1.0
CZ A:ARG397 4.4 52.4 1.0
CB A:ILE559 4.5 60.1 1.0
CA A:THR560 4.5 60.9 1.0
CE2 A:TYR365 4.5 58.1 1.0
C A:GLU363 4.6 60.8 1.0
C A:THR560 4.7 61.1 1.0
CB A:THR560 4.8 61.0 1.0
CD A:GLU363 4.9 66.0 1.0
CB A:LYS561 4.9 62.2 1.0
CD A:ARG397 4.9 48.3 1.0
CG A:GLU363 5.0 63.2 1.0
CG1 A:ILE559 5.0 60.2 1.0
N A:ILE559 5.0 59.5 1.0

Iodine binding site 7 out of 9 in 3rke

Go back to Iodine Binding Sites List in 3rke
Iodine binding site 7 out of 9 in the Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 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 Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I607

b:61.6
occ:0.50
 CD2 A:HIS377 3.6 43.5 1.0
NE2 A:HIS377 3.6 43.0 1.0
ND1 A:HIS429 3.8 41.9 1.0
CG A:HIS429 3.9 43.2 1.0
CE1 A:HIS429 4.0 40.3 1.0
CD2 A:HIS429 4.1 41.8 1.0
NE2 A:HIS429 4.2 40.4 1.0
CB A:HIS429 4.4 43.8 1.0
CG2 A:THR378 4.5 38.0 1.0
CA A:THR378 4.9 38.0 1.0
CG A:HIS377 4.9 41.3 1.0
CE1 A:HIS377 5.0 42.2 1.0

Iodine binding site 8 out of 9 in 3rke

Go back to Iodine Binding Sites List in 3rke
Iodine binding site 8 out of 9 in the Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 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 Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I608

b:73.8
occ:0.50
 N A:ALA566 3.5 57.7 1.0
N A:PHE567 3.5 57.4 1.0
C A:HIS565 3.7 58.3 1.0
CA A:HIS565 3.8 58.7 1.0
CB A:HIS565 3.8 59.0 1.0
CB A:PHE567 3.9 57.3 1.0
CD2 A:PHE567 3.9 55.8 1.0
CB A:ASP311 4.1 41.4 1.0
O A:HOH619 4.1 54.7 1.0
CG A:PHE567 4.2 56.7 1.0
CA A:PHE567 4.3 57.8 1.0
O A:HOH800 4.3 47.5 1.0
CG A:ASP311 4.4 44.0 1.0
CA A:ALA566 4.4 57.2 1.0
C A:ALA566 4.5 57.2 1.0
O A:HIS565 4.5 58.4 1.0
CG A:HIS565 4.8 60.2 1.0
OD1 A:ASP311 4.8 48.1 1.0
N A:GLN568 4.8 59.3 1.0
OD2 A:ASP311 4.8 44.2 1.0
CE2 A:PHE567 4.8 54.4 1.0
ND1 A:HIS565 4.8 61.1 1.0
CA A:ASP311 5.0 41.0 1.0

Iodine binding site 9 out of 9 in 3rke

Go back to Iodine Binding Sites List in 3rke
Iodine binding site 9 out of 9 in the Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 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 Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I609

b:63.9
occ:0.50
 OG1 A:THR463 3.2 43.1 1.0
N A:LYS462 3.5 42.4 1.0
N A:THR463 4.0 43.2 1.0
CA A:GLY466 4.0 39.2 1.0
CA A:PRO461 4.2 41.6 1.0
CA A:LYS462 4.3 43.1 1.0
CB A:THR463 4.3 43.5 1.0
C A:PRO461 4.4 41.8 1.0
CB A:LYS462 4.5 43.0 1.0
CG2 A:THR463 4.5 42.6 1.0
N A:GLY466 4.6 40.7 1.0
C A:LYS462 4.6 43.0 1.0
CA A:THR463 4.8 43.2 1.0
CG A:LYS462 4.8 44.3 1.0
O A:GLN460 5.0 42.4 1.0

Reference:

D.Dube, R.P.Singh, M.Sinha, A.K.Singh, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of Goat Lactoperoxidase Complexed with A Tightly Bound Inhibitor, 4-Aminophenyl-4H-Imidazole-1-Yl Methanone at 2.3 A Resolution To Be Published.
Page generated: Sun Aug 11 16:27:22 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy