Copper in PDB 8af2: Human Sterol Carrier Protein with Unnatural Amino Acid 2,2'-Bipyridine Alanine Incorporated at Position 111

All present enzymatic activity of Human Sterol Carrier Protein with Unnatural Amino Acid 2,2'-Bipyridine Alanine Incorporated at Position 111:
4.2.1.107; 4.2.1.119;

The structure of Human Sterol Carrier Protein with Unnatural Amino Acid 2,2'-Bipyridine Alanine Incorporated at Position 111, PDB code: 8af2 was solved by J.M.Richardson, E.Klemencic, A.G.Jarvis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.21 / 2.51
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.512, 50.523, 62.211, 90, 90.73, 90
R / Rfree (%)	23.4 / 30

The binding sites of Copper atom in the Human Sterol Carrier Protein with Unnatural Amino Acid 2,2'-Bipyridine Alanine Incorporated at Position 111 (pdb code 8af2). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Human Sterol Carrier Protein with Unnatural Amino Acid 2,2'-Bipyridine Alanine Incorporated at Position 111, PDB code: 8af2:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Human Sterol Carrier Protein with Unnatural Amino Acid 2,2'-Bipyridine Alanine Incorporated at Position 111


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Human Sterol Carrier Protein with Unnatural Amino Acid 2,2'-Bipyridine Alanine Incorporated at Position 111 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu204 b:68.8 occ:1.00 O A:HOH302 1.8 58.3 1.0 O A:HOH304 2.0 58.4 1.0 N2 A:BP5111 2.0 43.7 1.0 N1 A:BP5111 2.0 43.9 1.0 O A:HOH308 2.1 66.3 1.0 O A:HOH309 2.1 61.3 1.0 C6 A:BP5111 2.8 53.4 1.0 C3 A:BP5111 2.8 53.2 1.0 C11 A:BP5111 3.1 45.6 1.0 C4 A:BP5111 3.1 54.0 1.0 C7 A:BP5111 4.2 49.7 1.0 C2 A:BP5111 4.2 51.7 1.0 OD2 A:ASP88 4.2 51.2 1.0 C9 A:BP5111 4.3 41.9 1.0 C5 A:BP5111 4.4 45.2 1.0 HD2 A:PRO89 4.4 55.8 1.0 HE22 A:GLN108 4.8 72.5 1.0 C8 A:BP5111 4.8 40.7 1.0 C1 A:BP5111 4.8 48.5 1.0 CD A:LYS115 4.8 70.2 1.0 CG A:ASP88 4.9 42.3 1.0 OD1 A:ASP88 4.9 33.8 1.0 CG A:LYS115 4.9 66.8 1.0 HD3 A:PRO89 5.0 55.8 1.0

Copper binding site 2 out of 2 in the Human Sterol Carrier Protein with Unnatural Amino Acid 2,2'-Bipyridine Alanine Incorporated at Position 111


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Human Sterol Carrier Protein with Unnatural Amino Acid 2,2'-Bipyridine Alanine Incorporated at Position 111 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu203 b:94.5 occ:1.00 O B:HOH304 1.8 76.7 1.0 O B:HOH301 1.8 73.8 1.0 O B:HOH306 1.9 77.2 1.0 N2 B:BP5111 2.0 68.8 1.0 O B:HOH307 2.0 68.3 1.0 N1 B:BP5111 2.0 66.8 1.0 C6 B:BP5111 2.7 70.6 1.0 C3 B:BP5111 2.7 70.3 1.0 C11 B:BP5111 3.1 72.0 1.0 C4 B:BP5111 3.1 78.0 1.0 HD2 B:PRO89 3.6 80.4 1.0 NZ B:LYS115 3.7 78.2 1.0 OD1 B:ASP88 3.9 69.8 1.0 CE B:LYS115 4.0 75.5 1.0 C7 B:BP5111 4.1 64.4 1.0 C2 B:BP5111 4.1 68.3 1.0 C9 B:BP5111 4.3 65.8 1.0 C5 B:BP5111 4.4 73.9 1.0 CD B:PRO89 4.5 66.9 1.0 CD B:LYS115 4.5 70.7 1.0 HD3 B:PRO89 4.6 80.4 1.0 C8 B:BP5111 4.7 59.0 1.0 C1 B:BP5111 4.8 66.1 1.0 HE22 B:GLN90 4.8 83.3 1.0 HG2 B:PRO89 4.8 78.3 1.0 HE21 B:GLN90 4.8 83.3 1.0 CG B:ASP88 4.9 70.6 1.0 CG B:LYS115 4.9 71.3 1.0 HA B:ASP88 5.0 75.5 1.0

E.Klemencic, R.Brewster, H.S.Ali, J.M.Richardson, A.G.Jarvis. Exploring the Design of Copper Artificial Metalloenzymes To Be Published.