Copper in PDB 5yb1: Structure and Function of Human Serum Albumin-Metal Agent Complex

The structure of Structure and Function of Human Serum Albumin-Metal Agent Complex, PDB code: 5yb1 was solved by F.Yang, T.Wang, J.Wang, Y.Gou, Z.L.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.00 / 2.62
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	38.492, 95.653, 96.642, 104.67, 101.43, 89.97
R / Rfree (%)	21.9 / 27.8

The binding sites of Copper atom in the Structure and Function of Human Serum Albumin-Metal Agent Complex (pdb code 5yb1). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Structure and Function of Human Serum Albumin-Metal Agent Complex, PDB code: 5yb1:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Structure and Function of Human Serum Albumin-Metal Agent Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Structure and Function of Human Serum Albumin-Metal Agent Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu608 b:0.4 occ:1.00 CU1 A:8ZR608 0.0 0.4 1.0 N15 A:8ZR608 2.0 0.0 1.0 S5 A:8ZR608 2.0 0.5 1.0 N7 A:8ZR608 2.1 0.5 1.0 NE2 A:HIS146 2.5 61.6 1.0 C9 A:8ZR608 2.8 0.9 1.0 C8 A:8ZR608 2.9 0.8 1.0 N6 A:8ZR608 3.0 0.9 1.0 C13 A:8ZR608 3.0 0.6 1.0 H13 A:8ZR608 3.1 0.1 1.0 C4 A:8ZR608 3.1 0.7 1.0 CD2 A:HIS146 3.2 60.9 1.0 C14 A:8ZR608 3.4 0.0 1.0 CE1 A:HIS146 3.5 61.5 1.0 H15 A:8ZR608 3.5 0.1 1.0 H3 A:8ZR608 3.8 0.4 1.0 CG2 A:ILE142 4.0 38.3 1.0 C10 A:8ZR608 4.1 0.4 1.0 CG A:HIS146 4.3 58.1 1.0 C12 A:8ZR608 4.3 0.0 1.0 H14 A:8ZR608 4.3 0.1 1.0 ND1 A:HIS146 4.4 61.4 1.0 N1 A:8ZR608 4.5 0.4 1.0 C11 A:8ZR608 4.7 0.2 1.0 H10 A:8ZR608 4.8 0.3 1.0 H30 A:8ZR608 4.9 0.5 1.0

Copper binding site 2 out of 2 in the Structure and Function of Human Serum Albumin-Metal Agent Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Structure and Function of Human Serum Albumin-Metal Agent Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu608 b:0.7 occ:1.00 CU1 B:8ZR608 0.0 0.7 1.0 N15 B:8ZR608 2.0 0.8 1.0 S5 B:8ZR608 2.0 0.8 1.0 N7 B:8ZR608 2.1 0.7 1.0 NE2 B:HIS146 2.5 69.1 1.0 C9 B:8ZR608 2.8 0.7 1.0 C8 B:8ZR608 2.9 0.9 1.0 N6 B:8ZR608 3.0 1.0 1.0 C13 B:8ZR608 3.0 0.0 1.0 C4 B:8ZR608 3.1 0.7 1.0 H13 B:8ZR608 3.1 0.8 1.0 CD2 B:HIS146 3.3 68.6 1.0 C14 B:8ZR608 3.4 1.0 1.0 CE1 B:HIS146 3.4 69.1 1.0 H15 B:8ZR608 3.5 0.8 1.0 H3 B:8ZR608 3.8 0.5 1.0 C10 B:8ZR608 4.1 0.2 1.0 C12 B:8ZR608 4.3 0.7 1.0 H14 B:8ZR608 4.4 0.8 1.0 CG B:HIS146 4.4 66.1 1.0 ND1 B:HIS146 4.4 69.1 1.0 CG2 B:ILE142 4.4 40.8 1.0 N1 B:8ZR608 4.5 0.4 1.0 C11 B:8ZR608 4.7 0.8 1.0 H30 B:8ZR608 4.8 0.0 1.0 H10 B:8ZR608 4.8 0.1 1.0

J.Wang, Y.Gou, Z.Zhang, P.Yu, J.Qi, Q.Qin, H.Sun, X.Wu, H.Liang, F.Yang. Developing An Anticancer Copper(II) Multitarget Pro-Drug Based on the HIS146 Residue in the Ib Subdomain of Modified Human Serum Albumin. Mol. Pharm. V. 15 2180 2018.
ISSN: ESSN 1543-8392
PubMed: 29722993
DOI: 10.1021/ACS.MOLPHARMACEUT.8B00045