Copper in PDB 6g5m: The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.

The structure of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions., PDB code: 6g5m was solved by K.M.Polyakov, S.I.Tsallagov, T.V.Tikhkonova, V.O.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.58 / 2.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	90.640, 162.370, 90.710, 90.00, 119.64, 90.00
R / Rfree (%)	13.2 / 20.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 29;

Binding sites:

The binding sites of Copper atom in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. (pdb code 6g5m). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 29 binding sites of Copper where determined in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions., PDB code: 6g5m:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 29 in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:41.7 occ:1.00 OD2 A:ASP314 1.9 41.1 1.0 NE2 A:HIS206 2.0 23.4 1.0 NE2 A:HIS381 2.0 39.7 1.0 O A:HOH711 2.3 55.5 1.0 CD2 A:HIS206 2.9 23.3 1.0 CG A:ASP314 3.0 35.8 1.0 CE1 A:HIS381 3.0 42.2 1.0 CD2 A:HIS381 3.0 42.2 1.0 CE1 A:HIS206 3.0 23.3 1.0 OD1 A:ASP314 3.3 43.7 1.0 O A:HOH878 3.9 15.8 0.5 CU A:CU605 4.0 19.8 0.4 CG A:HIS206 4.0 23.4 1.0 ND1 A:HIS206 4.1 27.3 1.0 ND1 A:HIS381 4.1 42.3 1.0 CG A:HIS381 4.1 43.9 1.0 CB A:ASP314 4.3 33.5 1.0 O A:PHE436 4.6 46.2 1.0 CG1 A:VAL205 4.6 22.3 1.0 O A:HOH894 4.7 27.6 1.0 CE1 A:HIS437 4.7 37.1 1.0 OG1 A:THR548 4.8 35.5 1.0 NE2 A:HIS136 5.0 24.9 1.0

Copper binding site 2 out of 29 in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:26.7 occ:0.60 O A:HOH826 1.8 18.4 0.5 ND1 A:HIS528 2.0 23.9 1.0 NE2 A:HIS135 2.0 34.2 1.0 O A:HOH894 2.6 27.6 1.0 CD2 A:HIS135 2.7 33.4 1.0 CU A:CU605 2.9 19.8 0.4 CG A:HIS528 2.9 25.1 1.0 CE1 A:HIS528 3.0 24.0 1.0 CE1 A:HIS135 3.2 36.7 1.0 CB A:HIS528 3.2 28.1 1.0 O A:HOH878 3.4 15.8 0.5 NE2 A:HIS136 3.6 24.9 1.0 NZ A:LYS103 3.7 41.3 1.0 CG A:HIS135 4.0 31.9 1.0 CD2 A:HIS528 4.1 20.7 1.0 NE2 A:HIS528 4.1 23.0 1.0 ND1 A:HIS135 4.1 29.0 1.0 O A:HOH802 4.3 30.7 1.0 CE1 A:HIS136 4.3 23.6 1.0 OE1 A:GLU288 4.4 60.3 1.0 CD2 A:HIS136 4.4 22.8 1.0 CD A:LYS103 4.4 33.4 1.0 CE A:LYS103 4.5 39.5 1.0 CA A:HIS528 4.7 30.6 1.0

Copper binding site 3 out of 29 in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:29.1 occ:0.20 OD1 A:ASP480 2.2 41.3 1.0 NE2 A:HIS482 2.2 28.0 1.0 NE1 A:TRP452 2.3 33.0 1.0 CE1 A:HIS482 2.8 28.4 1.0 O A:HOH907 2.9 26.1 0.5 CE2 A:TRP452 3.1 34.9 1.0 CD1 A:TRP452 3.1 36.5 1.0 CD2 A:HIS482 3.3 25.2 1.0 CG A:ASP480 3.4 44.3 1.0 CZ2 A:TRP452 3.5 37.2 1.0 ND1 A:HIS482 3.9 27.1 1.0 CZ A:PHE436 4.0 43.5 1.0 OD2 A:ASP480 4.0 39.6 1.0 O A:HOH769 4.0 25.8 1.0 CD2 A:TRP452 4.1 36.4 1.0 CG A:TRP452 4.1 35.9 1.0 CE1 A:PHE436 4.1 37.7 1.0 CG A:HIS482 4.2 29.8 1.0 NE2 A:HIS528 4.4 23.0 1.0 CB A:ASP480 4.6 42.3 1.0 CG A:PRO291 4.7 59.2 1.0 CA A:ASP480 4.7 38.0 1.0 O A:MET481 4.8 33.5 1.0 CH2 A:TRP452 4.8 37.2 1.0 CE1 A:HIS528 4.9 24.0 1.0 C A:ASP480 4.9 37.0 1.0 CE1 A:TYR500 5.0 33.4 1.0 CD1 A:TYR500 5.0 32.2 1.0

Copper binding site 4 out of 29 in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu604 b:40.0 occ:0.80 NE2 A:HIS437 1.8 36.5 1.0 ND1 A:HIS482 2.1 27.1 1.0 CE1 A:HIS437 2.8 37.1 1.0 CD2 A:HIS437 2.9 34.4 1.0 CE1 A:HIS482 3.0 28.4 1.0 CG A:HIS482 3.2 29.8 1.0 O A:HOH894 3.2 27.6 1.0 CZ A:PHE436 3.5 43.5 1.0 CB A:HIS482 3.6 31.7 1.0 CE1 A:PHE436 3.7 37.7 1.0 O A:HIS528 3.7 28.5 1.0 ND1 A:HIS437 3.9 33.4 1.0 CG A:HIS437 4.0 36.0 1.0 CE2 A:PHE436 4.0 34.5 1.0 CA A:HIS528 4.0 30.6 1.0 CA A:HIS482 4.1 35.4 1.0 NE2 A:HIS482 4.1 28.0 1.0 CB A:HIS528 4.1 28.1 1.0 CD1 A:PHE436 4.2 43.0 1.0 CD2 A:HIS482 4.2 25.2 1.0 C A:HIS528 4.2 30.0 1.0 CG A:HIS528 4.2 25.1 1.0 CD2 A:PHE436 4.5 42.0 1.0 CG A:PHE436 4.6 45.6 1.0 N A:THR483 4.6 32.8 1.0 C A:HIS482 4.6 39.3 1.0 ND1 A:HIS528 4.6 23.9 1.0 CD2 A:HIS528 4.6 20.7 1.0 CG2 A:THR483 4.9 35.6 1.0 CU A:CU605 5.0 19.8 0.4

Copper binding site 5 out of 29 in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu605 b:19.8 occ:0.40 O A:HOH878 1.6 15.8 0.5 NE2 A:HIS136 1.9 24.9 1.0 O A:HOH894 2.0 27.6 1.0 O A:HOH826 2.6 18.4 0.5 CE1 A:HIS136 2.8 23.6 1.0 CU A:CU602 2.9 26.7 0.6 CD2 A:HIS136 3.0 22.8 1.0 NE2 A:HIS135 3.1 34.2 1.0 CE1 A:HIS135 3.4 36.7 1.0 NE2 A:HIS206 3.8 23.4 1.0 CE1 A:HIS206 3.9 23.3 1.0 ND1 A:HIS136 4.0 21.4 1.0 CU A:CU601 4.0 41.7 1.0 CG1 A:VAL205 4.1 22.3 1.0 CG A:HIS136 4.1 23.8 1.0 CD2 A:HIS135 4.2 33.4 1.0 OE1 A:GLU288 4.3 60.3 1.0 CD2 A:HIS206 4.5 23.3 1.0 ND1 A:HIS528 4.5 23.9 1.0 ND1 A:HIS135 4.5 29.0 1.0 OE2 A:GLU288 4.6 62.8 1.0 ND1 A:HIS206 4.6 27.3 1.0 CB A:HIS528 4.7 28.1 1.0 CD A:GLU288 4.9 53.0 1.0 CG A:HIS135 4.9 31.9 1.0 CG A:HIS206 4.9 23.4 1.0 CU A:CU604 5.0 40.0 0.8

Copper binding site 6 out of 29 in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu606 b:61.0 occ:0.30 ND1 A:HIS411 2.2 47.3 1.0 CE1 A:HIS411 2.9 57.7 1.0 CG A:HIS411 3.0 53.1 1.0 OD1 A:ASP412 3.3 55.8 1.0 CB A:HIS411 3.4 47.9 1.0 NE2 A:HIS411 3.8 54.6 1.0 CD2 A:HIS411 3.8 50.6 1.0 C A:HIS411 4.1 46.3 1.0 N A:ASP412 4.2 40.7 1.0 CG A:ASP412 4.4 53.3 1.0 CA A:HIS411 4.4 45.5 1.0 CA A:ASP412 4.4 43.4 1.0 O A:HIS411 4.5 42.3 1.0 CB A:ASP412 4.9 43.5 1.0

Copper binding site 7 out of 29 in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu607 b:41.2 occ:0.30 NE2 A:HIS309 2.2 48.8 1.0 O A:HOH881 2.4 36.8 1.0 CE1 A:HIS309 3.1 47.5 1.0 CD2 A:HIS309 3.3 45.3 1.0 ND1 A:HIS309 4.3 48.2 1.0 CG A:HIS309 4.4 46.2 1.0 O A:HOH905 4.4 38.6 1.0 O A:HOH898 4.7 50.4 1.0 CB A:LEU308 5.0 33.3 1.0 CD1 A:LEU308 5.0 35.1 1.0

Copper binding site 8 out of 29 in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu601 b:36.2 occ:1.00 OD2 B:ASP314 1.9 51.4 1.0 NE2 B:HIS381 2.0 43.5 1.0 NE2 B:HIS206 2.0 28.6 1.0 O B:HOH815 2.4 20.3 0.5 CG B:ASP314 2.8 49.2 1.0 CD2 B:HIS206 2.8 29.8 1.0 CD2 B:HIS381 2.8 40.9 1.0 OD1 B:ASP314 2.9 51.1 1.0 CE1 B:HIS381 3.1 44.0 1.0 CE1 B:HIS206 3.1 28.7 1.0 O B:HOH819 3.7 37.5 1.0 CG B:HIS206 4.0 31.4 1.0 CG B:HIS381 4.0 42.1 1.0 ND1 B:HIS381 4.1 42.8 1.0 CU B:CU605 4.1 16.1 0.4 ND1 B:HIS206 4.1 33.8 1.0 CB B:ASP314 4.2 43.0 1.0 O B:HOH867 4.6 17.0 0.5 OG1 B:THR548 4.7 33.6 1.0 CG1 B:VAL205 4.7 23.8 1.0 CE1 B:HIS437 4.9 38.8 1.0

Copper binding site 9 out of 29 in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu602 b:22.3 occ:0.60 O B:HOH772 1.5 33.8 1.0 ND1 B:HIS528 1.9 31.9 1.0 NE2 B:HIS135 2.0 28.3 1.0 O B:HOH867 2.6 17.0 0.5 CU B:CU605 2.7 16.1 0.4 CG B:HIS528 2.8 32.5 1.0 CE1 B:HIS528 2.9 35.1 1.0 CD2 B:HIS135 2.9 27.8 1.0 CE1 B:HIS135 3.0 27.7 1.0 CB B:HIS528 3.1 33.2 1.0 O B:HOH890 3.6 38.9 1.0 O B:HOH819 3.6 37.5 1.0 NE2 B:HIS136 3.6 28.9 1.0 NZ B:LYS103 3.9 51.6 1.0 CD2 B:HIS528 3.9 32.9 1.0 NE2 B:HIS528 4.0 33.8 1.0 CG B:HIS135 4.1 28.3 1.0 ND1 B:HIS135 4.1 28.0 1.0 CE1 B:HIS136 4.1 28.2 1.0 O B:HOH815 4.4 20.3 0.5 OE1 B:GLU288 4.5 77.8 1.0 CD B:LYS103 4.5 38.2 1.0 CE B:LYS103 4.6 42.4 1.0 CD2 B:HIS136 4.6 28.3 1.0 CA B:HIS528 4.6 32.6 1.0 OE1 B:GLN156 4.8 41.1 1.0 CE1 B:HIS482 4.9 24.5 1.0

Copper binding site 10 out of 29 in the The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions.


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu603 b:26.1 occ:0.20 OD1 B:ASP480 1.7 42.3 1.0 NE2 B:HIS482 2.5 23.8 1.0 CG B:ASP480 2.6 42.3 1.0 OD2 B:ASP480 2.9 43.2 1.0 O B:HOH829 3.0 28.9 1.0 CE1 B:HIS482 3.3 24.5 1.0 NE1 B:TRP452 3.3 27.2 1.0 CD2 B:HIS482 3.6 24.0 1.0 CB B:ASP480 4.0 32.7 1.0 CE2 B:TRP452 4.0 32.4 1.0 CZ2 B:TRP452 4.1 30.0 1.0 CD1 B:TYR500 4.3 28.1 1.0 CD1 B:TRP452 4.3 33.1 1.0 NE2 B:HIS528 4.3 33.8 1.0 ND1 B:HIS482 4.5 24.9 1.0 CE1 B:HIS528 4.6 35.1 1.0 CA B:ASP480 4.6 33.5 1.0 CG B:HIS482 4.7 26.7 1.0 CE1 B:TYR500 4.7 30.8 1.0 CA B:TYR500 4.8 25.1 1.0 O B:ASP480 4.9 37.2 1.0 C B:ASP480 5.0 38.0 1.0

K.M.Polyakov, S.I.Tsallagov, T.V.Tikhkonova, V.O.Popov. The Structure of Thiocyanate Dehydrogenase From Thioalkalivibrio Paradoxus Complex with Cu(I) Ions. To Be Published.