Copper in PDB 6c40: CHEY41PYTYRD54K From Thermotoga Maritima

The structure of CHEY41PYTYRD54K From Thermotoga Maritima, PDB code: 6c40 was solved by G.E.Merz, A.R.Muok, B.R.Crane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.51 / 2.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	33.634, 34.816, 58.547, 98.80, 104.42, 100.33
R / Rfree (%)	21.7 / 29.6

The binding sites of Copper atom in the CHEY41PYTYRD54K From Thermotoga Maritima (pdb code 6c40). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the CHEY41PYTYRD54K From Thermotoga Maritima, PDB code: 6c40:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in the CHEY41PYTYRD54K From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of CHEY41PYTYRD54K From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:80.3 occ:1.00 OH B:0WZ41 1.9 76.1 1.0 OH D:0WZ41 1.9 78.3 1.0 N1 B:0WZ41 2.0 80.9 1.0 CZ B:0WZ41 2.7 72.6 1.0 OE1 D:GLU45 2.8 74.3 1.0 OE2 D:GLU45 2.8 79.6 1.0 N2 B:0WZ41 2.8 73.1 1.0 CU B:CU204 3.0 79.9 1.0 CD D:GLU45 3.1 74.4 1.0 CE2 B:0WZ41 3.1 65.7 1.0 CZ D:0WZ41 3.1 76.7 1.0 C5 B:0WZ41 3.1 75.4 1.0 CE1 D:0WZ41 3.4 73.2 1.0 O D:HOH301 3.8 76.3 1.0 CE1 B:0WZ41 4.0 70.7 1.0 C3 B:0WZ41 4.0 70.5 1.0 C4 B:0WZ41 4.2 68.5 1.0 CE2 D:0WZ41 4.4 77.8 1.0 OE2 B:GLU45 4.4 78.3 1.0 CD2 B:0WZ41 4.4 66.8 1.0 CG D:GLU45 4.5 77.4 1.0 N1 D:0WZ41 4.5 84.2 1.0 CD1 D:0WZ41 4.7 72.3 1.0 N2 D:0WZ41 4.9 85.7 1.0

Copper binding site 2 out of 6 in the CHEY41PYTYRD54K From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of CHEY41PYTYRD54K From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu202 b:84.5 occ:1.00 OD2 B:ASP9 1.8 68.4 1.0 SG B:CYS81 2.6 61.5 1.0 CG B:ASP9 2.9 64.5 1.0 O B:HOH303 3.1 63.4 1.0 CE B:MET14 3.2 61.8 1.0 SD B:MET14 3.2 72.3 1.0 O B:HOH306 3.3 38.9 1.0 CB B:CYS81 3.4 52.1 1.0 OD1 B:ASP9 3.5 58.9 1.0 CB B:MET14 3.8 70.1 1.0 CB B:LYS54 3.9 59.3 1.0 CB B:ASP9 4.0 61.5 1.0 CG B:MET14 4.0 76.0 1.0 CD B:LYS54 4.1 51.6 1.0 CE B:LYS54 4.2 61.5 1.0 CG B:LYS54 4.4 55.7 1.0 CD1 B:LEU18 4.5 64.0 1.0 CA B:CYS81 4.9 52.5 1.0 CA B:ASP9 4.9 58.5 1.0 CA B:LYS54 4.9 53.0 1.0

Copper binding site 3 out of 6 in the CHEY41PYTYRD54K From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of CHEY41PYTYRD54K From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu203 b:0.9 occ:0.50 OD2 B:ASP20 2.2 78.5 1.0 CG B:ASP20 2.9 83.6 1.0 OD1 B:ASP20 2.9 91.6 1.0 CB B:ASP20 4.4 75.5 1.0 O B:MET16 4.7 66.8 1.0 CB B:MET16 4.9 73.6 1.0

Copper binding site 4 out of 6 in the CHEY41PYTYRD54K From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of CHEY41PYTYRD54K From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu204 b:79.9 occ:1.00 OH D:0WZ41 1.9 78.3 1.0 OH B:0WZ41 1.9 76.1 1.0 N1 D:0WZ41 2.0 84.2 1.0 CZ D:0WZ41 2.7 76.7 1.0 OE2 B:GLU45 2.8 78.3 1.0 OE1 B:GLU45 2.8 80.5 1.0 N2 D:0WZ41 2.9 85.7 1.0 CD B:GLU45 3.0 77.0 1.0 CU B:CU201 3.0 80.3 1.0 CE2 D:0WZ41 3.1 77.8 1.0 C5 D:0WZ41 3.1 86.4 1.0 CZ B:0WZ41 3.2 72.6 1.0 O D:HOH301 3.6 76.3 1.0 CE1 B:0WZ41 3.7 70.7 1.0 CE1 D:0WZ41 3.8 73.2 1.0 C3 D:0WZ41 4.0 80.0 1.0 C4 D:0WZ41 4.2 86.6 1.0 CG B:GLU45 4.3 67.1 1.0 CE2 B:0WZ41 4.3 65.7 1.0 CD2 D:0WZ41 4.4 79.0 1.0 N1 B:0WZ41 4.4 80.9 1.0 OE1 D:GLU45 4.4 74.3 1.0 N2 B:0WZ41 4.8 73.1 1.0 CD1 D:0WZ41 4.8 72.3 1.0

Copper binding site 5 out of 6 in the CHEY41PYTYRD54K From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of CHEY41PYTYRD54K From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu201 b:0.6 occ:1.00 CE D:MET14 1.3 88.3 1.0 OD2 D:ASP9 1.9 79.9 1.0 SG D:CYS81 2.6 84.7 1.0 O D:HOH302 2.7 60.1 1.0 SD D:MET14 2.8 97.5 1.0 CG D:ASP9 2.9 79.8 1.0 OD1 D:ASP9 3.4 75.9 1.0 CB D:CYS81 3.4 73.9 1.0 CB D:LYS54 3.8 66.0 1.0 CG D:MET14 3.8 91.2 1.0 CD D:LYS54 3.9 65.0 1.0 CB D:MET14 4.0 85.9 1.0 CZ D:PHE106 4.1 86.6 1.0 CB D:ASP9 4.2 74.3 1.0 CG D:LYS54 4.3 64.1 1.0 CD1 D:LEU18 4.6 75.4 1.0 CA D:CYS81 4.8 70.7 1.0 NZ D:LYS54 4.8 75.8 1.0 CA D:LYS54 4.8 65.3 1.0 CE1 D:PHE106 4.9 83.1 1.0 CE2 D:PHE106 4.9 89.4 1.0 C D:CYS81 4.9 69.7 1.0 CE D:LYS54 5.0 65.1 1.0 O D:CYS81 5.0 69.0 1.0

Copper binding site 6 out of 6 in the CHEY41PYTYRD54K From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of CHEY41PYTYRD54K From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu202 b:0.4 occ:0.50 OD1 D:ASP20 2.5 92.0 1.0 OD2 D:ASP20 2.8 93.0 1.0 CG D:ASP20 3.0 89.9 1.0 CB D:ASP20 4.4 85.3 1.0 O D:MET16 4.5 82.4 1.0 CB D:MET16 4.5 93.1 1.0 CG D:MET16 4.8 93.3 1.0 C D:MET16 4.9 82.6 1.0

G.E.Merz, P.P.Borbat, A.R.Muok, M.Srivastava, D.N.Bunck, J.H.Freed, B.R.Crane. Site-Specific Incorporation of A CU2+Spin Label Into Proteins For Measuring Distances By Pulsed Dipolar Electron Spin Resonance Spectroscopy. J Phys Chem B V. 122 9443 2018.
ISSN: ISSN 1520-5207
PubMed: 30222354
DOI: 10.1021/ACS.JPCB.8B05619