Iodine in PDB 1w2z: Psao and Xenon

All present enzymatic activity of Psao and Xenon:
1.4.3.6;

The structure of Psao and Xenon, PDB code: 1w2z was solved by A.P.Duff, D.M.Trambaiolo, A.E.Cohen, P.J.Ellis, G.A.Juda, E.M.Shepard, D.B.Langley, D.M.Dooley, H.C.Freeman, J.M.Guss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 2.24
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.507, 196.268, 89.665, 90.00, 107.46, 90.00
R / Rfree (%)	17.9 / 22.4

The structure of Psao and Xenon also contains other interesting chemical elements:

Manganese	(Mn)	4 atoms
Xenon	(Xe)	8 atoms
Copper	(Cu)	4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 100; Page 11, Binding sites: 101 - 110; Page 12, Binding sites: 111 - 120; Page 13, Binding sites: 121 - 130; Page 14, Binding sites: 131 - 140; Page 15, Binding sites: 141 - 150; Page 16, Binding sites: 151 - 160; Page 17, Binding sites: 161 - 170; Page 18, Binding sites: 171 - 176;

Binding sites:

The binding sites of Iodine atom in the Psao and Xenon (pdb code 1w2z). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 176 binding sites of Iodine where determined in the Psao and Xenon, PDB code: 1w2z:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 176 in the Psao and Xenon


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Psao and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:I1648 b:39.2 occ:1.00 HA3 A:GLY500 3.1 23.8 1.0 HD2 A:PRO530 3.1 18.1 1.0 HD2 B:PRO530 3.1 17.9 1.0 HA3 B:GLY500 3.2 23.8 1.0 O A:HOH2136 3.3 28.7 1.0 HG3 B:PRO530 3.7 19.9 1.0 HA2 B:GLY500 3.7 23.8 1.0 HD13 A:ILE529 3.7 22.1 1.0 HG2 B:PRO530 3.7 19.9 1.0 HA2 A:GLY500 3.7 23.8 1.0 HD13 B:ILE529 3.7 22.5 1.0 CD A:PRO530 3.7 18.9 1.0 CD B:PRO530 3.8 18.6 1.0 HG3 A:PRO530 3.8 20.1 1.0 HD3 A:PRO530 3.8 18.1 1.0 HG2 A:PRO530 3.8 20.1 1.0 CA A:GLY500 3.9 24.1 1.0 CG B:PRO530 3.9 20.4 1.0 CA B:GLY500 3.9 24.2 1.0 HD3 B:PRO530 3.9 17.9 1.0 CG A:PRO530 4.0 22.4 1.0 HG13 A:ILE529 4.1 21.3 1.0 HG13 B:ILE529 4.2 21.5 1.0 HG23 B:ILE499 4.4 22.2 1.0 HG23 A:ILE499 4.5 22.3 1.0 CD1 A:ILE529 4.5 19.7 1.0 CD1 B:ILE529 4.5 23.8 1.0 HD11 B:ILE529 4.6 22.5 1.0 HD11 A:ILE529 4.6 22.1 1.0 HA A:ILE529 4.7 15.6 1.0 HA B:ILE529 4.7 15.6 1.0 O B:ILE499 4.7 23.9 1.0 N A:GLY500 4.8 22.2 1.0 O A:GLY500 4.8 28.3 1.0 N B:GLY500 4.8 21.9 1.0 O A:ILE499 4.8 24.2 1.0 CG1 A:ILE529 4.8 22.5 1.0 C A:GLY500 4.8 24.9 1.0 O B:GLY500 4.9 27.9 1.0 CG1 B:ILE529 4.9 23.2 1.0 C B:GLY500 4.9 24.8 1.0

Iodine binding site 2 out of 176 in the Psao and Xenon


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Psao and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:I1649 b:47.8 occ:0.99 HD2 A:ARG470 3.1 28.4 1.0 HE A:ARG470 3.2 30.9 1.0 NE A:ARG470 3.6 34.2 1.0 CD A:ARG470 3.7 29.2 1.0 HD3 A:ARG470 3.8 28.4 1.0 CZ A:ARG470 4.6 30.7 1.0 HH21 A:ARG470 4.7 25.7 1.0 NZ A:LYS472 4.9 33.7 1.0 HD3 A:LYS472 4.9 23.6 1.0 NH2 A:ARG470 5.0 25.6 1.0

Iodine binding site 3 out of 176 in the Psao and Xenon


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Psao and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:I1650 b:45.2 occ:0.98 H A:ILE186 2.7 17.9 1.0 HB2 A:LYS185 3.1 23.8 1.0 HD21 A:LEU114 3.4 21.3 1.0 HA A:LYS185 3.4 21.4 1.0 HD1 A:TYR118 3.5 19.7 1.0 HB A:ILE186 3.5 17.8 1.0 N A:ILE186 3.6 17.3 1.0 HD11 A:ILE186 3.7 19.2 1.0 HB3 A:LEU114 3.8 19.3 1.0 CB A:LYS185 3.9 25.8 1.0 HG13 A:ILE186 3.9 18.2 1.0 CA A:LYS185 4.0 21.0 1.0 CD1 A:TYR118 4.1 21.2 1.0 HB3 A:LYS185 4.2 23.8 1.0 HE1 A:TYR118 4.2 19.6 1.0 CB A:ILE186 4.2 17.3 1.0 CD2 A:LEU114 4.3 21.3 1.0 C A:LYS185 4.4 19.9 1.0 CG1 A:ILE186 4.4 18.6 1.0 CD1 A:ILE186 4.4 21.2 1.0 HD11 A:LEU114 4.5 20.0 1.0 CA A:ILE186 4.5 17.8 1.0 CE1 A:TYR118 4.5 19.1 1.0 HD13 A:ILE186 4.6 19.2 1.0 CB A:LEU114 4.7 18.2 1.0 HD23 A:LEU114 4.7 21.3 1.0 HB2 A:TYR118 4.7 18.9 1.0 HD22 A:LEU114 4.8 21.3 1.0 O A:ILE186 4.9 16.3 1.0 HD2 A:LYS185 4.9 38.7 1.0 CG A:LEU114 4.9 18.3 1.0

Iodine binding site 4 out of 176 in the Psao and Xenon


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Psao and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:I1651 b:52.9 occ:0.97 O A:HOH2032 3.1 21.7 1.0 HB3 A:PRO64 3.5 25.4 1.0 ND2 A:ASN83 3.5 19.4 1.0 HG3 A:PRO64 3.6 27.1 1.0 HG22 A:ILE86 3.8 26.3 1.0 HE A:ARG85 3.8 36.6 1.0 HG2 A:ARG85 3.8 31.7 1.0 HB3 A:ARG85 3.8 28.9 1.0 CB A:PRO64 4.2 25.6 1.0 CG A:PRO64 4.3 27.8 1.0 HG23 A:ILE86 4.4 26.3 1.0 CG A:ASN83 4.5 27.6 1.0 HG12 A:ILE86 4.5 25.1 1.0 CG2 A:ILE86 4.5 25.6 1.0 HH21 A:ARG85 4.5 42.0 1.0 HB2 A:PRO64 4.5 25.4 1.0 OD1 A:ASN83 4.5 26.8 1.0 NE A:ARG85 4.6 37.7 1.0 CG A:ARG85 4.6 31.7 1.0 CB A:ARG85 4.6 28.6 1.0 HB2 A:ARG85 4.8 28.9 1.0 HD3 A:PRO64 4.9 24.3 1.0 O A:HOH2025 4.9 35.2 1.0 HG2 A:PRO64 5.0 27.1 1.0

Iodine binding site 5 out of 176 in the Psao and Xenon


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Psao and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:I1652 b:39.9 occ:0.91 HB3 A:PRO216 3.2 20.8 1.0 HD11 B:LEU265 3.2 34.3 1.0 HB3 B:ASN242 3.3 12.3 1.0 HD2 B:TYR263 3.3 20.4 1.0 HA A:PRO216 3.4 20.2 1.0 HB2 B:LEU265 3.6 29.5 1.0 HD3 A:PRO216 3.8 20.9 1.0 HA3 A:GLY215 3.8 20.5 1.0 N A:PRO216 3.9 20.1 1.0 CB A:PRO216 3.9 21.3 1.0 CA A:PRO216 3.9 20.5 1.0 HB3 B:TYR263 3.9 16.9 1.0 HD23 B:LEU265 4.0 35.3 1.0 CD1 B:LEU265 4.1 35.0 1.0 CD2 B:TYR263 4.1 18.7 1.0 CB B:ASN242 4.2 9.3 1.0 C A:GLY215 4.3 20.1 1.0 CD A:PRO216 4.3 22.1 1.0 HA B:ASN242 4.3 12.5 1.0 HB2 B:ASN242 4.4 12.3 1.0 HD12 B:LEU265 4.4 34.3 1.0 CB B:LEU265 4.5 28.4 1.0 CA A:GLY215 4.5 20.9 1.0 HB2 A:PRO216 4.6 20.8 1.0 CG B:LEU265 4.6 32.8 1.0 HD13 B:LEU265 4.7 34.3 1.0 CG A:PRO216 4.7 23.8 1.0 CD2 B:LEU265 4.7 37.1 1.0 HE2 B:TYR263 4.8 21.2 1.0 CB B:TYR263 4.8 16.4 1.0 CA B:ASN242 4.8 12.7 1.0 O B:TYR263 4.8 18.8 1.0 HG3 A:PRO216 4.8 21.6 1.0 HA B:LEU265 4.8 28.7 1.0 CE2 B:TYR263 4.9 22.0 1.0 CG B:TYR263 4.9 19.7 1.0 O A:GLY215 4.9 19.9 1.0 HA2 A:GLY215 5.0 20.5 1.0

Iodine binding site 6 out of 176 in the Psao and Xenon


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Psao and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:I1653 b:78.6 occ:0.87 HG13 A:VAL90 2.9 29.1 1.0 HE2 A:LYS66 3.1 36.8 1.0 HB2 A:ASN83 3.5 23.2 1.0 ND2 A:ASN83 3.6 19.4 1.0 CG1 A:VAL90 3.8 30.6 1.0 NZ A:LYS66 3.9 34.5 1.0 CE A:LYS66 3.9 39.7 1.0 HG11 A:VAL90 4.1 29.1 1.0 HB A:VAL90 4.1 26.9 1.0 HG23 A:VAL90 4.2 29.3 1.0 CB A:ASN83 4.3 23.6 1.0 HG12 A:VAL90 4.4 29.1 1.0 HD3 A:LYS66 4.4 32.8 1.0 CB A:VAL90 4.5 27.3 1.0 CG A:ASN83 4.5 27.6 1.0 HE3 A:LYS66 4.6 36.8 1.0 HB3 A:ASN83 4.6 23.2 1.0 CD A:LYS66 4.8 31.0 1.0 CG2 A:VAL90 4.9 30.8 1.0

Iodine binding site 7 out of 176 in the Psao and Xenon


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Psao and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:I1654 b:83.4 occ:0.76 HE2 A:LYS217 2.9 46.4 1.0 HG2 A:LYS217 3.0 34.3 1.0 HG3 A:LYS217 3.1 34.3 1.0 O A:HOH2065 3.2 33.6 1.0 HE3 A:LYS217 3.3 46.4 1.0 HG3 B:GLN227 3.3 31.7 1.0 CG A:LYS217 3.4 35.4 1.0 HA A:HIS219 3.5 19.9 1.0 CE A:LYS217 3.5 47.9 1.0 HD2 A:HIS219 3.6 21.5 1.0 CD2 A:HIS219 3.7 21.9 1.0 NE2 A:HIS219 3.9 21.0 1.0 CD A:LYS217 4.1 43.9 1.0 HB2 B:GLN227 4.2 25.1 1.0 CG A:HIS219 4.2 22.0 1.0 CG B:GLN227 4.2 31.7 1.0 CA A:HIS219 4.4 20.1 1.0 HB3 B:GLN227 4.5 25.1 1.0 O A:GLN218 4.5 20.1 1.0 CE1 A:HIS219 4.6 20.7 1.0 CB B:GLN227 4.6 25.5 1.0 HD2 A:LYS217 4.6 42.6 1.0 HG2 B:GLN227 4.6 31.7 1.0 H A:SER220 4.7 20.6 1.0 ND1 A:HIS219 4.7 22.2 1.0 HD3 A:LYS217 4.7 42.6 1.0 HB3 A:LYS217 4.8 23.8 1.0 CB A:LYS217 4.8 22.6 1.0 N A:HIS219 4.8 20.7 1.0 NZ A:LYS217 4.8 45.6 1.0 C A:GLN218 4.8 20.8 1.0 CB A:HIS219 4.9 18.8 1.0

Iodine binding site 8 out of 176 in the Psao and Xenon


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Psao and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:I1655 b:47.3 occ:0.71 O A:HOH2021 2.5 9.6 0.3 H A:GLU47 2.8 23.5 1.0 HG21 A:ILE63 3.3 21.9 1.0 HB2 A:GLU47 3.5 28.4 1.0 HA A:PRO46 3.5 23.1 1.0 O A:HOH2028 3.6 46.4 1.0 N A:GLU47 3.6 22.8 1.0 HB3 A:PRO46 3.6 23.3 1.0 HB2 A:HIS50 3.7 24.1 1.0 HG22 A:ILE63 3.7 21.9 1.0 CG2 A:ILE63 4.0 23.1 1.0 HD2 A:PRO64 4.0 24.3 1.0 CG A:HIS50 4.1 32.8 1.0 CA A:PRO46 4.1 22.5 1.0 HB3 A:HIS50 4.2 24.1 1.0 CB A:GLU47 4.2 29.6 1.0 HB3 A:GLU47 4.2 28.4 1.0 CB A:HIS50 4.2 23.9 1.0 CD2 A:HIS50 4.2 42.4 1.0 CB A:PRO46 4.3 24.4 1.0 HD2 A:HIS50 4.4 40.4 1.0 C A:PRO46 4.4 23.8 1.0 HG12 A:ILE63 4.5 19.5 1.0 HB2 A:PRO46 4.5 23.3 1.0 ND1 A:HIS50 4.5 39.2 1.0 CA A:GLU47 4.5 24.9 1.0 HG23 A:ILE63 4.5 21.9 1.0 HE3 A:LYS66 4.5 36.8 1.0 HD12 A:ILE63 4.6 18.5 1.0 NE2 A:HIS50 4.7 45.1 1.0 HG2 A:PRO64 4.8 27.1 1.0 CE1 A:HIS50 4.9 41.5 1.0 O A:GLU47 5.0 20.8 1.0 HA A:ILE63 5.0 21.0 1.0 CD A:PRO64 5.0 25.2 1.0

Iodine binding site 9 out of 176 in the Psao and Xenon


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Psao and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:I1656 b:45.8 occ:0.67 HE A:ARG640 3.1 33.3 1.0 HG2 A:GLN227 3.1 31.7 1.0 HB2 A:PRO226 3.3 23.8 1.0 HG23 A:VAL642 3.4 33.0 1.0 O B:HOH2047 3.4 28.0 1.0 HB2 B:SER220 3.5 24.1 1.0 HG3 A:GLN227 3.8 31.7 1.0 CG A:GLN227 3.9 32.4 1.0 HH21 A:ARG640 3.9 32.3 1.0 NE2 A:GLN227 3.9 35.3 1.0 NE A:ARG640 3.9 35.1 1.0 OG B:SER220 4.0 33.9 1.0 HG2 A:PRO226 4.1 23.1 1.0 CB A:PRO226 4.1 23.4 1.0 CG2 A:VAL642 4.2 34.6 1.0 CB B:SER220 4.2 23.9 1.0 HG21 A:VAL642 4.3 33.0 1.0 HD3 A:ARG640 4.3 30.2 1.0 HB3 A:PRO226 4.3 23.8 1.0 HG22 A:VAL642 4.4 33.0 1.0 CD A:GLN227 4.4 39.9 1.0 NH2 A:ARG640 4.5 32.9 1.0 HB3 B:SER220 4.6 24.1 1.0 CG A:PRO226 4.6 22.0 1.0 HB3 A:ARG640 4.6 22.7 1.0 HB2 A:ARG640 4.6 22.7 1.0 CZ A:ARG640 4.6 35.2 1.0 CD A:ARG640 4.7 29.7 1.0 H B:SER220 4.8 20.6 1.0 HG12 A:VAL642 4.8 31.2 1.0 HD2 A:PRO226 4.9 20.8 1.0 H A:GLN227 4.9 23.5 1.0

Iodine binding site 10 out of 176 in the Psao and Xenon


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Psao and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:I1657 b:49.0 occ:0.67 HE2 A:TYR550 3.2 16.5 1.0 HB3 A:ALA579 3.3 15.1 1.0 HH2 A:TRP553 3.5 15.1 1.0 ND2 A:ASN549 3.6 11.9 1.0 HB2 A:ASN549 3.8 14.7 1.0 HB2 A:ALA579 3.9 15.1 1.0 HB3 A:ASN549 3.9 14.7 1.0 CB A:ALA579 4.0 15.7 1.0 CE2 A:TYR550 4.0 16.0 1.0 CB A:ASN549 4.2 14.2 1.0 CH2 A:TRP553 4.3 16.5 1.0 HA A:ALA579 4.4 14.6 1.0 CG A:ASN549 4.4 14.8 1.0 HZ3 A:TRP553 4.5 14.1 1.0 HB2 A:ALA546 4.6 9.4 1.0 HD2 A:TYR550 4.6 16.9 1.0 OE2 A:GLU537 4.7 48.4 1.0 HB1 A:ALA579 4.7 15.1 1.0 NZ A:LYS496 4.7 18.4 1.0 CA A:ALA579 4.8 15.0 1.0 OH A:TYR550 4.8 20.1 1.0 HD3 A:LYS496 4.8 19.1 1.0 CD2 A:TYR550 4.8 17.9 1.0 CZ3 A:TRP553 4.8 14.6 1.0 CZ A:TYR550 4.9 18.2 1.0

A.P.Duff, D.M.Trambaiolo, A.E.Cohen, P.J.Ellis, G.A.Juda, E.M.Shepard, D.B.Langley, D.M.Dooley, H.C.Freeman, J.M.Guss. Using Xenon As A Probe For Dioxygen-Binding Sites in Copper Amine Oxidases. J.Mol.Biol. V. 344 599 2004.
ISSN: ISSN 0022-2836
PubMed: 15533431
DOI: 10.1016/J.JMB.2004.09.075