Copper in PDB 8you: The Pmtcdh Complex Structure with An Inhibitor Secn

The structure of The Pmtcdh Complex Structure with An Inhibitor Secn, PDB code: 8you was solved by L.A.Varfolomeeva, K.M.Polyakov, N.S.Shipkov, N.I.Dergousova, K.M.Boyko, T.V.Tikhonova, V.O.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.14 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.03, 96.67, 147.25, 90, 90, 90
R / Rfree (%)	18.9 / 23.5

The structure of The Pmtcdh Complex Structure with An Inhibitor Secn also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Copper atom in the The Pmtcdh Complex Structure with An Inhibitor Secn (pdb code 8you). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 7 binding sites of Copper where determined in the The Pmtcdh Complex Structure with An Inhibitor Secn, PDB code: 8you:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7;

Copper binding site 1 out of 7 in the The Pmtcdh Complex Structure with An Inhibitor Secn


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of The Pmtcdh Complex Structure with An Inhibitor Secn within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:19.0 occ:1.00 NE2 A:HIS171 1.9 15.6 1.0 N A:SEK601 2.0 12.3 0.6 NE2 A:HIS346 2.0 19.6 1.0 OD1 A:ASP279 2.1 15.5 1.0 CG A:ASP279 2.8 16.8 1.0 OD2 A:ASP279 2.8 15.7 1.0 CD2 A:HIS346 2.9 14.7 1.0 CD2 A:HIS171 2.9 15.4 1.0 CE1 A:HIS171 2.9 12.3 1.0 C A:SEK601 3.0 15.4 0.6 CE1 A:HIS346 3.1 23.5 1.0 OE1 A:GLN347 3.2 16.2 1.0 O A:HOH1023 3.6 22.3 1.0 NE2 A:GLN347 3.6 17.2 1.0 CD A:GLN347 3.7 17.2 1.0 CG A:HIS171 4.0 13.0 1.0 CG A:HIS346 4.1 19.4 1.0 ND1 A:HIS171 4.1 14.8 1.0 ND1 A:HIS346 4.1 20.5 1.0 CB A:ASP279 4.2 13.3 1.0 O A:HOH782 4.5 18.9 1.0 CG1 A:VAL170 4.7 15.6 1.0 SE A:SEK601 4.7 23.1 0.6 CG2 A:THR513 4.8 18.7 1.0 NE2 A:HIS101 4.8 15.5 1.0 CE1 A:HIS402 4.9 18.5 1.0 CB A:THR513 4.9 18.9 1.0

Copper binding site 2 out of 7 in the The Pmtcdh Complex Structure with An Inhibitor Secn


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of The Pmtcdh Complex Structure with An Inhibitor Secn within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:21.1 occ:1.00 ND1 A:HIS493 2.0 13.2 1.0 NE2 A:HIS100 2.0 15.1 1.0 O A:HOH793 2.4 13.9 1.0 SE A:SEK601 2.6 23.1 0.6 CG A:HIS493 2.9 13.1 1.0 CE1 A:HIS493 3.0 11.9 1.0 CE1 A:HIS100 3.0 12.8 1.0 CD2 A:HIS100 3.0 11.6 1.0 CB A:HIS493 3.3 12.6 1.0 C A:SEK601 3.4 15.4 0.6 NZ A:LYS68 3.7 12.4 1.0 NE2 A:HIS101 3.8 15.5 1.0 CD2 A:HIS493 4.1 13.4 1.0 NE2 A:HIS493 4.1 15.1 1.0 ND1 A:HIS100 4.2 15.4 1.0 CG A:HIS100 4.2 14.4 1.0 O A:HOH989 4.3 20.6 1.0 OE1 A:GLU253 4.3 19.7 1.0 O A:HOH1023 4.3 22.3 1.0 CE1 A:HIS101 4.4 11.4 1.0 N A:SEK601 4.4 12.3 0.6 CE A:LYS68 4.5 15.6 1.0 CG A:PRO256 4.6 16.3 1.0 CU A:CU604 4.7 20.0 1.0 CD2 A:HIS101 4.7 10.9 1.0 CD A:LYS68 4.7 15.7 1.0 CA A:HIS493 4.7 13.8 1.0 CE1 A:HIS447 5.0 15.0 1.0

Copper binding site 3 out of 7 in the The Pmtcdh Complex Structure with An Inhibitor Secn


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of The Pmtcdh Complex Structure with An Inhibitor Secn within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu604 b:20.0 occ:1.00 ND1 A:HIS447 2.0 16.3 1.0 NE2 A:HIS402 2.0 19.2 1.0 SE A:SEK601 2.5 23.1 0.6 CE1 A:HIS447 2.8 15.0 1.0 CD2 A:HIS402 3.0 18.2 1.0 CE1 A:HIS402 3.0 18.5 1.0 CG A:HIS447 3.1 15.4 1.0 CE1 A:PHE401 3.4 19.6 1.0 C A:SEK601 3.5 15.4 0.6 CB A:HIS447 3.5 16.3 1.0 CZ A:PHE401 3.6 20.3 1.0 O A:HIS493 3.7 15.5 1.0 NE2 A:HIS447 4.0 16.1 1.0 CA A:HIS447 4.0 16.7 1.0 CB A:HIS493 4.0 12.6 1.0 ND1 A:HIS402 4.1 17.4 1.0 CG A:HIS402 4.1 15.0 1.0 CD2 A:HIS447 4.1 16.0 1.0 CA A:HIS493 4.2 13.8 1.0 CG A:HIS493 4.2 13.1 1.0 N A:SEK601 4.2 12.3 0.6 C A:HIS493 4.4 15.6 1.0 CD1 A:PHE401 4.4 15.6 1.0 NE2 A:GLN347 4.4 17.2 1.0 ND1 A:HIS493 4.6 13.2 1.0 CU A:CU603 4.7 21.1 1.0 C A:HIS447 4.7 13.9 1.0 CD2 A:HIS493 4.7 13.4 1.0 CE2 A:PHE401 4.7 17.9 1.0 N A:THR448 4.8 13.1 1.0 CG2 A:THR448 4.9 10.8 1.0

Copper binding site 4 out of 7 in the The Pmtcdh Complex Structure with An Inhibitor Secn


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of The Pmtcdh Complex Structure with An Inhibitor Secn within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu605 b:26.4 occ:0.70 ND1 A:HIS44 1.9 23.1 1.0 N A:HIS44 2.0 36.6 1.0 N A:GLY43 2.2 36.8 1.0 O A:HOH935 2.7 31.2 1.0 CE1 A:HIS44 2.8 26.7 1.0 CG A:HIS44 2.9 31.1 1.0 C A:GLY43 2.9 38.1 1.0 CA A:GLY43 3.0 34.3 1.0 CA A:HIS44 3.1 35.0 1.0 CB A:HIS44 3.3 29.6 1.0 N A:MET45 3.7 34.5 1.0 C A:HIS44 3.8 33.9 1.0 NE2 A:HIS44 4.0 29.9 1.0 CD2 A:HIS44 4.0 32.6 1.0 O A:GLY43 4.1 47.6 1.0 O A:HOH962 4.2 33.2 1.0 CA A:MET45 4.9 37.2 1.0 O A:HIS44 4.9 38.3 1.0

Copper binding site 5 out of 7 in the The Pmtcdh Complex Structure with An Inhibitor Secn


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of The Pmtcdh Complex Structure with An Inhibitor Secn within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu602 b:22.9 occ:1.00 NE2 B:HIS171 2.0 18.4 1.0 NE2 B:HIS346 2.0 23.1 1.0 OD2 B:ASP279 2.3 22.6 1.0 O B:HOH753 2.4 24.9 0.7 OD1 B:ASP279 2.7 21.4 1.0 CG B:ASP279 2.8 20.3 1.0 CD2 B:HIS346 3.0 26.7 1.0 CD2 B:HIS171 3.0 17.0 1.0 CE1 B:HIS171 3.0 18.7 1.0 CE1 B:HIS346 3.1 25.6 1.0 CG B:HIS171 4.1 14.5 1.0 ND1 B:HIS171 4.1 14.7 1.0 ND1 B:HIS346 4.1 23.5 1.0 CG B:HIS346 4.1 25.0 1.0 CB B:ASP279 4.3 18.8 1.0 O B:HOH711 4.3 38.1 1.0 OG1 B:THR513 4.4 20.6 1.0 O B:HOH771 4.6 17.0 1.0 O B:PHE401 4.7 28.1 1.0 CE1 B:HIS402 4.9 19.4 1.0 SE B:SE605 5.0 22.0 0.7 CG1 B:VAL170 5.0 20.0 1.0

Copper binding site 6 out of 7 in the The Pmtcdh Complex Structure with An Inhibitor Secn


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of The Pmtcdh Complex Structure with An Inhibitor Secn within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu603 b:24.0 occ:1.00 NE2 B:HIS100 2.0 17.5 1.0 ND1 B:HIS493 2.1 15.5 1.0 O B:HOH759 2.3 21.7 1.0 SE B:SE605 2.6 22.0 0.7 CD2 B:HIS100 2.9 16.0 1.0 CG B:HIS493 3.0 14.1 1.0 CE1 B:HIS100 3.1 19.6 1.0 CE1 B:HIS493 3.1 12.8 1.0 CB B:HIS493 3.2 13.5 1.0 NZ B:LYS68 3.6 18.6 1.0 NE2 B:HIS101 3.7 20.0 1.0 OE1 B:GLU253 4.0 30.1 1.0 CD2 B:HIS493 4.1 15.0 1.0 CG B:HIS100 4.2 19.7 1.0 NE2 B:HIS493 4.2 16.9 1.0 ND1 B:HIS100 4.2 19.2 1.0 CE1 B:HIS101 4.2 16.0 1.0 OE2 B:GLU253 4.4 31.6 1.0 O B:HOH1034 4.5 23.3 0.5 CD2 B:HIS101 4.6 14.4 1.0 CE B:LYS68 4.7 16.4 1.0 CD B:GLU253 4.7 32.2 1.0 CU B:CU604 4.7 21.5 1.0 CA B:HIS493 4.7 15.4 1.0 O B:HOH773 4.7 28.1 1.0 CD B:LYS68 4.8 17.3 1.0

Copper binding site 7 out of 7 in the The Pmtcdh Complex Structure with An Inhibitor Secn


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of The Pmtcdh Complex Structure with An Inhibitor Secn within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu604 b:21.5 occ:1.00 NE2 B:HIS402 2.0 21.0 1.0 ND1 B:HIS447 2.0 15.8 1.0 SE B:SE605 2.6 22.0 0.7 CE1 B:HIS447 2.9 16.4 1.0 CE1 B:HIS402 2.9 19.4 1.0 CG B:HIS447 3.1 15.7 1.0 CD2 B:HIS402 3.1 19.8 1.0 CZ B:PHE401 3.3 23.2 1.0 CB B:HIS447 3.4 16.8 1.0 CE1 B:PHE401 3.5 22.9 1.0 CA B:HIS447 3.9 17.1 1.0 CE2 B:PHE401 3.9 19.3 1.0 O B:HIS493 4.0 14.7 1.0 NE2 B:HIS447 4.0 17.0 1.0 ND1 B:HIS402 4.1 16.1 1.0 CB B:HIS493 4.1 13.5 1.0 CD2 B:HIS447 4.1 14.4 1.0 CA B:HIS493 4.1 15.4 1.0 CG B:HIS402 4.2 17.4 1.0 CD1 B:PHE401 4.2 23.4 1.0 CG B:HIS493 4.3 14.1 1.0 C B:HIS493 4.5 15.2 1.0 C B:HIS447 4.5 16.9 1.0 ND1 B:HIS493 4.5 15.5 1.0 CD2 B:PHE401 4.6 21.1 1.0 CU B:CU603 4.7 24.0 1.0 CD2 B:HIS493 4.7 15.0 1.0 CG B:PHE401 4.7 24.6 1.0 N B:THR448 4.8 13.8 1.0 O B:MET446 4.9 13.5 1.0

L.A.Varfolomeeva, K.M.Polyakov, N.S.Shipkov, N.I.Dergousova, K.M.Boyko, T.V.Tikhonova, V.O.Popov. The Pmtcdh Complex Structure with An Inhibitor Secn To Be Published.