Iodine in PDB 7wyj: Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution

All present enzymatic activity of Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution:
1.11.1.7;

The structure of Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution, PDB code: 7wyj was solved by V.Viswanathan, N.Pandey, A.K.Singh, M.Sinha, R.P.Singh, P.Sharma, 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)	35.30 / 1.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.99, 79.93, 76.31, 90, 102.18, 90
R / Rfree (%)	20.3 / 25.8

The structure of Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Calcium	(Ca)	1 atom
Zinc	(Zn)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 38;

Binding sites:

The binding sites of Iodine atom in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution (pdb code 7wyj). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 38 binding sites of Iodine where determined in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution, PDB code: 7wyj:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 38 in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A 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 the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:21.6 occ:0.40 I A:IOD602 0.0 21.6 0.4 I A:IOD602 0.8 32.2 0.5 ND2 A:ASN80 3.4 19.2 1.0 O A:HOH837 3.4 35.3 1.0 CG A:PRO145 3.6 23.3 1.0 CB A:ASN80 4.0 17.7 1.0 CB A:PRO145 4.0 23.9 1.0 CG A:ASN80 4.2 17.6 1.0 CG A:GLU77 4.5 21.8 1.0 CB A:ASN147 4.6 34.1 1.0 CA A:GLU77 4.7 19.1 1.0 CE A:LYS81 4.8 30.8 1.0 N A:ASP148 4.8 25.2 1.0 C A:ASN147 4.8 29.5 1.0 N A:ASN147 4.9 33.0 1.0 CG A:LYS81 4.9 25.9 1.0 CB A:GLU77 5.0 21.6 1.0 O A:GLU77 5.0 17.4 1.0 CD A:PRO145 5.0 24.6 1.0

Iodine binding site 2 out of 38 in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A 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 the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:32.2 occ:0.50 I A:IOD602 0.0 32.2 0.5 I A:IOD602 0.8 21.6 0.4 O A:HOH837 3.7 35.3 1.0 ND2 A:ASN80 3.9 19.2 1.0 CE A:LYS81 4.0 30.8 1.0 CB A:ASN80 4.0 17.7 1.0 CG A:PRO145 4.2 23.3 1.0 CG A:LYS81 4.2 25.9 1.0 CG A:GLU77 4.2 21.8 1.0 CD A:LYS81 4.4 26.3 1.0 CG A:ASN80 4.5 17.6 1.0 CB A:PRO145 4.5 23.9 1.0 NZ A:LYS81 4.6 32.2 1.0 O A:GLU77 4.7 17.4 1.0 CA A:GLU77 4.7 19.1 1.0 CD A:GLU77 4.8 24.9 1.0 CB A:ASN147 4.9 34.1 1.0 CB A:GLU77 4.9 21.6 1.0 OE2 A:GLU77 4.9 24.0 1.0

Iodine binding site 3 out of 38 in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A 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 the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:24.8 occ:0.50 I A:IOD603 0.0 24.8 0.5 I A:IOD603 1.3 26.0 0.5 NE1 A:TRP530 3.1 29.3 1.0 CZ2 A:TRP530 3.6 31.6 1.0 CE2 A:TRP530 3.7 30.3 1.0 O A:HOH980 3.9 28.7 1.0 CB A:PHE309 4.1 22.0 1.0 O A:HOH1137 4.1 37.4 1.0 CZ2 A:TRP529 4.2 31.0 1.0 CA A:ILE306 4.2 24.3 1.0 CD1 A:TRP530 4.3 28.8 1.0 CG1 A:ILE306 4.4 31.0 1.0 N A:ARG310 4.6 27.5 1.0 O A:GLN305 4.6 22.5 1.0 O A:ILE306 4.7 25.5 1.0 CB A:ILE306 4.8 26.6 1.0 CB A:ARG310 4.8 31.7 1.0 N A:ILE306 4.9 26.2 1.0 OE1 A:GLU531 4.9 47.8 1.0 C A:PHE309 4.9 23.9 1.0 CE2 A:TRP529 4.9 29.9 1.0 CH2 A:TRP530 4.9 31.3 1.0 CA A:PHE309 5.0 21.9 1.0 C A:ILE306 5.0 22.2 1.0 NE1 A:TRP529 5.0 33.1 1.0 C A:GLN305 5.0 23.3 1.0

Iodine binding site 4 out of 38 in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A 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 the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:26.0 occ:0.50 I A:IOD603 0.0 26.0 0.5 I A:IOD603 1.3 24.8 0.5 O A:HOH1137 2.9 37.4 1.0 O A:HOH980 3.4 28.7 1.0 CB A:PHE309 3.8 22.0 1.0 N A:ARG310 3.9 27.5 1.0 C A:PHE309 4.2 23.9 1.0 CB A:ARG310 4.2 31.7 1.0 O A:HOH1051 4.3 44.4 1.0 NE1 A:TRP530 4.3 29.3 1.0 CA A:ARG310 4.4 28.1 1.0 CZ2 A:TRP530 4.5 31.6 1.0 CA A:PHE309 4.5 21.9 1.0 O A:PHE309 4.7 21.5 1.0 O A:ILE306 4.7 25.5 1.0 CE2 A:TRP530 4.8 30.3 1.0 CZ2 A:TRP529 4.9 31.0 1.0 CA A:ILE306 4.9 24.3 1.0

Iodine binding site 5 out of 38 in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A 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 the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I604 b:33.3 occ:0.25 I A:IOD604 0.0 33.3 0.2 I A:IOD604 1.5 46.2 0.2 O A:HOH1131 2.1 43.4 1.0 O A:HOH857 2.8 34.2 1.0 NH1 A:ARG31 3.8 46.3 1.0 CG A:ARG31 3.9 41.4 1.0 CB A:ARG31 3.9 37.0 1.0 O A:HOH1047 4.1 37.2 1.0 ND2 A:ASN333 4.2 36.5 1.0 CD A:ARG31 4.4 48.1 1.0 O A:HOH967 4.6 20.2 0.5 CE2 A:TYR331 4.6 27.7 1.0 CB A:ASN333 4.6 29.7 1.0 CZ A:ARG31 4.9 47.8 1.0 CD A:ARG527 4.9 28.1 1.0 CG A:ASN333 4.9 32.5 1.0 N A:ARG31 5.0 32.4 1.0

Iodine binding site 6 out of 38 in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A 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 the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I604 b:46.2 occ:0.25 I A:IOD604 0.0 46.2 0.2 I A:IOD604 1.5 33.3 0.2 O A:HOH857 3.1 34.2 1.0 O A:HOH967 3.2 20.2 0.5 O A:HOH1047 3.3 37.2 1.0 O A:HOH1131 3.4 43.4 1.0 CE2 A:TYR331 3.6 27.7 1.0 NH1 A:ARG31 3.7 46.3 1.0 CD A:ARG527 4.2 28.1 1.0 CD2 A:TYR331 4.2 28.2 1.0 ND2 A:ASN333 4.5 36.5 1.0 CG A:ARG31 4.6 41.4 1.0 O A:HOH967 4.7 13.6 0.5 CB A:ASN333 4.7 29.7 1.0 CZ A:TYR331 4.7 27.0 1.0 OH A:TYR331 4.8 25.5 1.0 CZ A:ARG31 4.9 47.8 1.0 CG A:ARG527 5.0 27.9 1.0

Iodine binding site 7 out of 38 in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A 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 the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I605 b:50.4 occ:0.60 O A:HOH1101 3.0 45.8 1.0 OG A:SER359 3.1 27.2 1.0 O A:HOH985 3.4 50.8 1.0 CB A:SER359 3.7 26.9 1.0 NZ A:LYS402 3.8 37.7 1.0 CD2 A:LEU361 4.1 37.3 1.0 CE A:LYS402 4.2 32.8 1.0 CB A:GLU373 4.2 33.1 1.0 CG A:PRO367 4.3 42.5 1.0 CB A:ALA372 4.3 32.9 1.0 CA A:PRO367 4.4 42.8 1.0 N A:GLU373 4.5 31.9 1.0 CB A:PRO367 4.5 42.2 1.0 CA A:GLU373 4.7 29.4 1.0 CG A:GLU373 4.8 35.3 1.0 C A:ALA372 4.8 31.4 1.0 CA A:SER359 4.8 26.5 1.0 CD A:PRO367 4.9 43.1 1.0 O A:ARG360 4.9 33.4 1.0 N A:PRO367 4.9 43.1 1.0

Iodine binding site 8 out of 38 in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A 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 the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I606 b:23.1 occ:0.40 I A:IOD606 0.0 23.1 0.4 I A:IOD606 1.5 22.7 0.4 CA A:GLY466 3.6 30.9 1.0 N A:LYS462 4.0 27.4 1.0 OG1 A:THR463 4.0 25.3 1.0 N A:GLY466 4.3 30.1 1.0 CA A:PRO461 4.3 27.9 1.0 N A:THR463 4.5 30.1 1.0 C A:PRO461 4.7 26.7 1.0 C A:GLY466 4.9 28.2 1.0 CA A:LYS462 5.0 29.8 1.0

Iodine binding site 9 out of 38 in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I606 b:22.7 occ:0.40 I A:IOD606 0.0 22.7 0.4 I A:IOD606 1.5 23.1 0.4 N A:LYS462 3.3 27.4 1.0 OG1 A:THR463 3.3 25.3 1.0 N A:THR463 3.5 30.1 1.0 CA A:LYS462 3.9 29.8 1.0 CB A:LYS462 3.9 32.2 1.0 C A:LYS462 4.0 30.1 1.0 CG2 A:THR463 4.1 29.9 1.0 CB A:THR463 4.1 28.7 1.0 CA A:GLY466 4.2 30.9 1.0 C A:PRO461 4.3 26.7 1.0 CA A:THR463 4.4 29.4 1.0 CA A:PRO461 4.4 27.9 1.0 CG A:LYS462 4.5 31.7 1.0 N A:GLY466 4.6 30.1 1.0 O A:HOH983 4.8 43.8 1.0 O A:THR463 4.9 27.8 1.0

Iodine binding site 10 out of 38 in the Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I607 b:27.6 occ:0.55 CG A:PRO375 3.9 19.4 1.0 NZ A:LYS420 4.0 24.1 1.0 CE1 A:HIS377 4.0 22.6 1.0 CB A:PRO375 4.2 18.3 1.0 ND1 A:HIS377 4.7 24.3 1.0 OE1 A:GLU416 4.8 21.9 1.0

V.Viswanathan, N.Pandey, A.K.Singh, M.Sinha, R.P.Singh, P.Sharma, P.Kaur, S.Sharma, T.P.Singh. Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 A Resolution. To Be Published.