Copper in PDB 3gyr: Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.

The structure of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center., PDB code: 3gyr was solved by A.W.Smith, A.Camara-Artigas, M.Wang, W.A.Francisco, J.P.Allen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	109.494, 163.456, 164.352, 117.04, 95.74, 107.23
R / Rfree (%)	16.5 / 22.2

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;

Binding sites:

The binding sites of Copper atom in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. (pdb code 3gyr). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 60 binding sites of Copper where determined in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center., PDB code: 3gyr:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 60 in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1000 b:50.1 occ:1.00 ND1 A:HIS524 2.0 33.6 1.0 SG A:CYS603 2.3 33.8 1.0 ND1 A:HIS608 2.5 28.1 1.0 CE1 A:HIS524 2.8 32.4 1.0 CG A:HIS524 3.1 32.3 1.0 CB A:CYS603 3.2 28.5 1.0 CG A:HIS608 3.4 26.6 1.0 CB A:HIS608 3.5 28.1 1.0 SD A:MET613 3.5 27.7 1.0 CE1 A:HIS608 3.5 27.3 1.0 CB A:HIS524 3.6 27.9 1.0 CD1 A:LEU605 3.6 23.9 1.0 CE A:MET613 3.8 25.8 1.0 CG A:LEU605 3.9 25.5 1.0 NE2 A:HIS524 3.9 30.3 1.0 CD2 A:HIS524 4.1 32.6 1.0 CB A:LEU605 4.1 25.0 1.0 CA A:HIS524 4.1 25.7 1.0 CD2 A:HIS608 4.6 25.8 1.0 CA A:CYS603 4.6 27.1 1.0 NE2 A:HIS608 4.6 28.3 1.0 O A:LEU523 4.8 28.4 1.0 N A:LEU605 4.8 26.6 1.0 CD A:PRO525 4.9 25.0 1.0 CG A:MET613 4.9 27.1 1.0

Copper binding site 2 out of 60 in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1004 b:41.3 occ:1.00 NE2 A:HIS527 2.0 30.2 1.0 NE2 A:HIS161 2.0 28.4 1.0 CD2 A:HIS527 2.9 28.0 1.0 O A:HOH689 2.9 35.1 1.0 CD2 A:HIS161 3.0 24.7 1.0 CD2 A:HIS529 3.0 28.7 1.0 CE1 A:HIS161 3.1 24.8 1.0 CE1 A:HIS527 3.1 25.2 1.0 NE2 A:HIS529 3.1 29.4 1.0 O1 A:C2O1002 3.4 44.8 1.0 CG A:HIS529 3.5 27.9 1.0 CU3 A:C2O1002 3.6 41.9 1.0 CU2 A:C2O1002 3.7 52.4 1.0 CE1 A:HIS529 3.7 27.4 1.0 ND1 A:HIS163 3.7 30.6 1.0 CG A:HIS163 3.7 29.0 1.0 CA A:HIS163 3.8 23.2 1.0 ND1 A:HIS529 3.9 26.6 1.0 CB A:HIS163 4.0 24.8 1.0 CG A:HIS527 4.1 26.7 1.0 CE1 A:HIS163 4.1 30.5 1.0 CD2 A:HIS163 4.1 28.8 1.0 CG A:HIS161 4.1 24.4 1.0 ND1 A:HIS161 4.1 26.0 1.0 ND1 A:HIS527 4.2 24.6 1.0 N A:GLY164 4.3 24.4 1.0 CA A:HIS529 4.3 28.5 1.0 NE2 A:HIS163 4.3 29.3 1.0 CB A:HIS529 4.4 27.0 1.0 C A:HIS163 4.5 22.6 1.0 N A:HIS163 4.8 24.5 1.0 N A:HIS529 4.8 27.2 1.0 O A:HOH672 4.9 20.7 1.0 O A:HOH1656 4.9 36.1 1.0 NE2 A:HIS602 5.0 26.1 1.0

Copper binding site 3 out of 60 in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1005 b:43.1 occ:1.00 NE2 A:HIS440 2.0 31.1 1.0 NE2 A:HIS438 2.1 29.2 1.0 NE2 A:HIS434 2.1 41.1 1.0 CE1 A:HIS440 2.8 30.3 1.0 CE1 A:HIS438 3.0 27.7 1.0 CE1 A:HIS434 3.0 40.5 1.0 CD2 A:HIS440 3.1 27.2 1.0 CD2 A:HIS434 3.2 40.6 1.0 CD2 A:HIS438 3.2 28.3 1.0 OE1 A:GLN513 3.8 30.1 1.0 CD A:GLN513 4.0 29.6 1.0 O A:HOH3064 4.0 43.8 1.0 ND1 A:HIS440 4.0 31.4 1.0 NE2 A:GLN513 4.0 33.4 1.0 ND1 A:HIS434 4.1 39.6 1.0 CG A:HIS440 4.1 28.8 1.0 ND1 A:HIS438 4.2 27.1 1.0 CG A:HIS434 4.2 39.9 1.0 CG A:HIS438 4.3 29.3 1.0 CB A:GLN513 4.5 25.9 1.0 CG A:GLN513 4.9 28.2 1.0

Copper binding site 4 out of 60 in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1002 b:52.4 occ:1.00 CU2 A:C2O1002 0.0 52.4 1.0 O1 A:C2O1002 2.0 44.8 1.0 ND1 A:HIS163 2.3 30.6 1.0 NE2 A:HIS201 2.5 24.1 1.0 NE2 A:HIS604 2.8 22.6 1.0 CE1 A:HIS163 3.2 30.5 1.0 CE1 A:HIS201 3.2 19.5 1.0 CG A:HIS163 3.3 29.0 1.0 CD2 A:HIS604 3.4 24.6 1.0 CB A:HIS163 3.6 24.8 1.0 CU A:CU1004 3.7 41.3 1.0 CD2 A:HIS161 3.7 24.7 1.0 CD2 A:HIS201 3.7 22.9 1.0 CU3 A:C2O1002 3.8 41.9 1.0 CD2 A:HIS527 3.9 28.0 1.0 CE1 A:HIS604 3.9 22.1 1.0 NE2 A:HIS527 4.1 30.2 1.0 NE2 A:HIS161 4.2 28.4 1.0 NE2 A:HIS163 4.3 29.3 1.0 CD2 A:HIS163 4.4 28.8 1.0 ND1 A:HIS201 4.5 22.3 1.0 CZ2 A:TRP199 4.5 20.4 1.0 CA A:HIS163 4.6 23.2 1.0 CG A:HIS604 4.7 23.9 1.0 CG A:HIS201 4.7 21.9 1.0 NE1 A:TRP199 4.8 23.5 1.0 CE1 A:HIS602 4.8 22.7 1.0 NE2 A:HIS602 4.8 26.1 1.0 CD2 A:HIS203 4.8 26.5 1.0 CE2 A:TRP199 4.9 22.6 1.0 ND1 A:HIS604 4.9 24.8 1.0 NE2 A:HIS203 4.9 28.8 1.0 CG A:HIS161 4.9 24.4 1.0 CB A:ALA363 5.0 19.3 1.0 CG A:HIS527 5.0 26.7 1.0

Copper binding site 5 out of 60 in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1002 b:41.9 occ:1.00 CU3 A:C2O1002 0.0 41.9 1.0 O1 A:C2O1002 2.0 44.8 1.0 NE2 A:HIS529 2.1 29.4 1.0 NE2 A:HIS602 2.2 26.1 1.0 NE2 A:HIS203 2.2 28.8 1.0 CE1 A:HIS529 2.8 27.4 1.0 CE1 A:HIS602 3.1 22.7 1.0 CD2 A:HIS203 3.2 26.5 1.0 CD2 A:HIS602 3.2 22.8 1.0 CD2 A:HIS529 3.2 28.7 1.0 CE1 A:HIS203 3.3 29.0 1.0 CU A:CU1004 3.6 41.3 1.0 CU2 A:C2O1002 3.8 52.4 1.0 CD2 A:HIS161 3.8 24.7 1.0 CD2 A:HIS527 3.9 28.0 1.0 NE2 A:HIS161 4.0 28.4 1.0 ND1 A:HIS529 4.0 26.6 1.0 ND1 A:HIS602 4.2 24.1 1.0 CG A:HIS529 4.2 27.9 1.0 CG A:HIS602 4.3 23.6 1.0 CG A:HIS203 4.3 28.6 1.0 ND1 A:HIS203 4.3 31.0 1.0 NE2 A:HIS527 4.4 30.2 1.0 CG A:HIS161 4.7 24.4 1.0 CB A:MET600 4.7 32.2 1.0 CE1 A:HIS161 4.9 24.8 1.0 OE1 A:GLU609 4.9 26.1 1.0 OE2 A:GLU609 5.0 33.2 1.0

Copper binding site 6 out of 60 in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1000 b:43.1 occ:1.00 ND1 B:HIS524 2.1 29.6 1.0 SG B:CYS603 2.4 28.9 1.0 ND1 B:HIS608 2.5 26.1 1.0 CE1 B:HIS524 2.8 29.9 1.0 CG B:HIS524 3.2 27.9 1.0 CB B:CYS603 3.3 24.3 1.0 CG B:HIS608 3.4 26.8 1.0 CB B:HIS608 3.5 23.8 1.0 CE1 B:HIS608 3.5 26.3 1.0 SD B:MET613 3.5 30.8 1.0 CD1 B:LEU605 3.6 20.7 1.0 CB B:HIS524 3.7 25.2 1.0 CE B:MET613 3.8 27.8 1.0 CG B:LEU605 3.9 23.6 1.0 NE2 B:HIS524 4.0 29.0 1.0 CB B:LEU605 4.1 21.6 1.0 CD2 B:HIS524 4.2 28.1 1.0 CA B:HIS524 4.4 23.3 1.0 CD2 B:HIS608 4.5 26.0 1.0 NE2 B:HIS608 4.6 26.6 1.0 CG B:MET613 4.6 26.2 1.0 CA B:CYS603 4.7 21.5 1.0 CD B:PRO525 4.9 23.3 1.0 N B:LEU605 5.0 23.8 1.0 CA B:HIS608 5.0 23.7 1.0

Copper binding site 7 out of 60 in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1004 b:40.9 occ:1.00 NE2 B:HIS527 1.9 30.6 1.0 NE2 B:HIS161 2.1 24.5 1.0 O B:HOH804 2.6 27.2 1.0 CD2 B:HIS527 2.8 27.6 1.0 CE1 B:HIS527 2.9 28.6 1.0 CE1 B:HIS161 3.0 25.6 1.0 CD2 B:HIS529 3.1 21.8 1.0 CD2 B:HIS161 3.2 22.2 1.0 NE2 B:HIS529 3.2 25.2 1.0 CG B:HIS529 3.5 24.3 1.0 ND1 B:HIS163 3.5 29.3 1.0 O1 B:C2O1002 3.6 40.3 1.0 CG B:HIS163 3.6 28.8 1.0 CU3 B:C2O1002 3.7 41.0 1.0 CE1 B:HIS529 3.7 22.4 1.0 CU2 B:C2O1002 3.8 48.7 1.0 ND1 B:HIS529 3.8 23.8 1.0 CE1 B:HIS163 3.8 31.9 1.0 CA B:HIS163 3.9 25.4 1.0 ND1 B:HIS527 4.0 27.8 1.0 CG B:HIS527 4.0 26.2 1.0 CD2 B:HIS163 4.0 30.1 1.0 CB B:HIS163 4.1 26.4 1.0 ND1 B:HIS161 4.1 26.4 1.0 NE2 B:HIS163 4.2 28.9 1.0 N B:GLY164 4.2 24.7 1.0 CA B:HIS529 4.3 25.3 1.0 CB B:HIS529 4.3 22.3 1.0 CG B:HIS161 4.3 23.8 1.0 C B:HIS163 4.5 25.2 1.0 O B:HOH3881 4.6 27.4 1.0 O B:HOH705 4.8 20.8 1.0 N B:HIS529 4.8 25.0 1.0 N B:HIS163 4.9 21.4 1.0

Copper binding site 8 out of 60 in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1005 b:37.7 occ:1.00 NE2 B:HIS440 1.9 34.6 1.0 NE2 B:HIS438 2.1 30.4 1.0 NE2 B:HIS434 2.1 38.2 1.0 O B:HOH4773 2.6 46.8 1.0 CE1 B:HIS440 2.8 32.6 1.0 CD2 B:HIS440 3.0 31.8 1.0 CE1 B:HIS434 3.1 38.3 1.0 CE1 B:HIS438 3.1 29.9 1.0 CD2 B:HIS434 3.1 39.8 1.0 CD2 B:HIS438 3.2 29.2 1.0 OE1 B:GLN513 3.6 26.6 1.0 ND1 B:HIS440 3.9 33.2 1.0 CD B:GLN513 3.9 28.3 1.0 CG B:HIS440 4.0 32.3 1.0 NE2 B:GLN513 4.1 27.2 1.0 ND1 B:HIS434 4.2 40.5 1.0 ND1 B:HIS438 4.2 28.4 1.0 CG B:HIS434 4.2 40.4 1.0 CG B:HIS438 4.3 29.8 1.0 CB B:GLN513 4.6 27.6 1.0 CG B:GLN513 4.9 26.2 1.0

Copper binding site 9 out of 60 in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1002 b:48.7 occ:1.00 CU2 B:C2O1002 0.0 48.7 1.0 O1 B:C2O1002 2.0 40.3 1.0 ND1 B:HIS163 2.2 29.3 1.0 NE2 B:HIS604 2.4 27.6 1.0 NE2 B:HIS201 2.6 23.5 1.0 CE1 B:HIS163 3.0 31.9 1.0 CD2 B:HIS604 3.0 24.2 1.0 CE1 B:HIS201 3.2 22.5 1.0 CG B:HIS163 3.3 28.8 1.0 CE1 B:HIS604 3.6 24.6 1.0 CB B:HIS163 3.7 26.4 1.0 CU3 B:C2O1002 3.8 41.0 1.0 CD2 B:HIS201 3.8 22.3 1.0 CU B:CU1004 3.8 40.9 1.0 CD2 B:HIS161 3.8 22.2 1.0 CD2 B:HIS527 4.0 27.6 1.0 NE2 B:HIS527 4.2 30.6 1.0 NE2 B:HIS161 4.2 24.5 1.0 NE2 B:HIS163 4.2 28.9 1.0 CG B:HIS604 4.3 24.2 1.0 CD2 B:HIS163 4.4 30.1 1.0 CZ2 B:TRP199 4.4 18.4 1.0 ND1 B:HIS201 4.5 23.8 1.0 ND1 B:HIS604 4.5 26.2 1.0 CB B:ALA363 4.6 13.8 1.0 CE1 B:HIS602 4.7 24.5 1.0 NE1 B:TRP199 4.7 21.4 1.0 NE2 B:HIS602 4.7 26.9 1.0 CA B:HIS163 4.8 25.4 1.0 CE2 B:TRP199 4.8 20.2 1.0 CG B:HIS201 4.8 22.3 1.0 CG B:HIS527 4.9 26.2 1.0 CD2 B:HIS203 5.0 21.2 1.0

Copper binding site 10 out of 60 in the Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1002 b:41.0 occ:1.00 CU3 B:C2O1002 0.0 41.0 1.0 O1 B:C2O1002 2.0 40.3 1.0 NE2 B:HIS529 2.2 25.2 1.0 NE2 B:HIS602 2.2 26.9 1.0 NE2 B:HIS203 2.3 22.7 1.0 CE1 B:HIS529 2.9 22.4 1.0 CD2 B:HIS602 3.1 24.9 1.0 CE1 B:HIS602 3.2 24.5 1.0 CD2 B:HIS203 3.2 21.2 1.0 CD2 B:HIS529 3.3 21.8 1.0 CE1 B:HIS203 3.4 23.8 1.0 CU B:CU1004 3.7 40.9 1.0 CD2 B:HIS527 3.7 27.6 1.0 CU2 B:C2O1002 3.8 48.7 1.0 CD2 B:HIS161 3.9 22.2 1.0 NE2 B:HIS161 3.9 24.5 1.0 ND1 B:HIS529 4.1 23.8 1.0 NE2 B:HIS527 4.2 30.6 1.0 ND1 B:HIS602 4.3 27.2 1.0 CG B:HIS602 4.3 25.6 1.0 CG B:HIS529 4.3 24.3 1.0 CG B:HIS203 4.4 22.1 1.0 ND1 B:HIS203 4.5 23.5 1.0 CE1 B:HIS161 4.7 25.6 1.0 CG B:HIS161 4.7 23.8 1.0 OE2 B:GLU609 4.7 31.4 1.0 CB B:MET600 4.7 31.7 1.0 CG B:HIS527 5.0 26.2 1.0

A.W.Smith, A.Camara-Artigas, M.Wang, J.P.Allen, W.A.Francisco. Structure of Phenoxazinone Synthase From Streptomyces Antibioticus Reveals A New Type 2 Copper Center. Biochemistry V. 45 4378 2006.
ISSN: ISSN 0006-2960
PubMed: 16584173