Zinc in PDB 7wql: Bovin Beta-Lactoglobulin Binding with Zinc Ions

The structure of Bovin Beta-Lactoglobulin Binding with Zinc Ions, PDB code: 7wql was solved by T.Li, J.Ma, J.Zang, G.Zhao, T.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.97 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	132.148, 42.464, 70.037, 90, 104.05, 90
R / Rfree (%)	20.7 / 26.1

The binding sites of Zinc atom in the Bovin Beta-Lactoglobulin Binding with Zinc Ions (pdb code 7wql). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Bovin Beta-Lactoglobulin Binding with Zinc Ions, PDB code: 7wql:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Bovin Beta-Lactoglobulin Binding with Zinc Ions


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Bovin Beta-Lactoglobulin Binding with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:26.3 occ:0.83 OD2 A:ASP130 1.9 43.0 1.0 CG A:ASP130 2.7 41.6 1.0 OD1 A:ASP130 2.8 29.6 1.0 O A:HOH345 4.1 40.8 1.0 CB A:ASP130 4.2 36.0 1.0 HB2 A:ASP130 4.4 43.2 1.0 HG12 A:VAL128 4.4 48.1 1.0 HB3 A:ASP130 4.6 43.2 1.0 HG11 A:VAL128 4.8 48.1 1.0 H A:ASP130 4.8 37.5 1.0

Zinc binding site 2 out of 6 in the Bovin Beta-Lactoglobulin Binding with Zinc Ions


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Bovin Beta-Lactoglobulin Binding with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn202 b:22.5 occ:0.94 OE2 A:GLU65 1.9 39.0 1.0 O A:HOH346 1.9 24.0 1.0 O A:ILE162 2.4 32.1 1.0 C A:ILE162 2.4 23.6 1.0 CD A:GLU65 2.5 35.0 1.0 OE1 A:GLU65 2.6 25.5 1.0 HG13 A:ILE162 3.9 36.7 1.0 CA A:ILE162 4.0 32.0 1.0 CG A:GLU65 4.0 37.9 1.0 H A:ILE162 4.2 26.7 1.0 O A:HOH373 4.3 38.1 1.0 HG3 A:GLU65 4.3 45.5 1.0 HG2 A:GLU65 4.3 45.5 1.0 O A:HOH308 4.4 36.0 1.0 N A:ILE162 4.5 22.3 1.0 HA A:ILE162 4.5 38.4 1.0 CG1 A:ILE162 4.7 30.6 1.0 HB A:ILE162 4.7 33.6 1.0 CB A:ILE162 4.8 28.1 1.0 HA A:GLU65 4.8 35.2 1.0 HG12 A:ILE162 4.9 36.7 1.0 HB3 A:GLU65 5.0 39.5 1.0 O A:GLY64 5.0 32.9 1.0

Zinc binding site 3 out of 6 in the Bovin Beta-Lactoglobulin Binding with Zinc Ions


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Bovin Beta-Lactoglobulin Binding with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn203 b:42.4 occ:0.47 OE1 A:GLU112 2.1 41.0 1.0 OE1 A:GLU114 2.3 37.9 1.0 CD A:GLU114 2.9 42.3 1.0 OE2 A:GLU114 2.9 39.6 1.0 CD A:GLU112 3.1 53.3 1.0 HE21 A:GLN115 3.4 61.3 1.0 OE2 A:GLU112 3.4 42.6 1.0 HG3 A:GLN115 3.8 61.7 1.0 NE2 A:GLN115 3.8 51.1 1.0 HA A:GLU112 4.0 50.4 1.0 HE22 A:GLN115 4.1 61.3 1.0 HB3 A:GLU112 4.3 53.6 1.0 CD A:GLN115 4.4 55.9 1.0 CG A:GLU114 4.4 40.7 1.0 CG A:GLU112 4.5 49.9 1.0 CG A:GLN115 4.5 51.5 1.0 HG2 A:GLN115 4.6 61.7 1.0 HD2 A:PRO113 4.7 53.9 1.0 HG3 A:GLU114 4.7 48.8 1.0 CB A:GLU112 4.7 44.7 1.0 HG2 A:GLU114 4.8 48.8 1.0 CA A:GLU112 4.8 42.0 1.0 H A:GLU114 4.9 52.8 1.0 O A:HOH352 4.9 39.3 1.0 HG2 A:GLU112 5.0 59.8 1.0 HG3 A:GLU112 5.0 59.8 1.0

Zinc binding site 4 out of 6 in the Bovin Beta-Lactoglobulin Binding with Zinc Ions


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Bovin Beta-Lactoglobulin Binding with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn204 b:63.0 occ:0.73 NE2 A:HIS146 2.2 32.1 1.0 HE1 A:HIS146 2.8 44.6 1.0 CE1 A:HIS146 2.9 37.2 1.0 O B:HOH328 3.1 53.2 1.0 O A:HOH375 3.3 39.5 1.0 CD2 A:HIS146 3.4 34.7 1.0 HB2 A:PRO144 3.7 38.2 1.0 HD2 A:HIS146 3.8 41.6 1.0 O A:HOH333 3.8 34.3 1.0 O B:HOH317 4.1 43.7 1.0 ND1 A:HIS146 4.1 38.4 1.0 O A:HOH340 4.1 38.7 1.0 HB3 B:ASN152 4.4 45.9 1.0 HB3 A:PRO144 4.4 38.2 1.0 CB A:PRO144 4.4 31.8 1.0 CG A:HIS146 4.4 29.9 1.0 O A:PRO144 4.4 29.4 1.0 HA A:PRO144 4.6 38.1 1.0 HD1 A:HIS146 4.8 46.1 1.0 C A:PRO144 4.8 30.9 1.0 CA A:PRO144 4.8 31.8 1.0 HB2 B:ASN152 4.9 45.9 1.0

Zinc binding site 5 out of 6 in the Bovin Beta-Lactoglobulin Binding with Zinc Ions


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Bovin Beta-Lactoglobulin Binding with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn205 b:115.9 occ:1.00 OD2 A:ASP53 2.2 52.4 1.0 OE1 A:GLU74 2.8 64.0 1.0 CG A:ASP53 3.1 43.2 1.0 OD1 A:ASP53 3.4 45.1 1.0 CD A:GLU74 3.8 64.7 1.0 HB3 A:GLU74 4.0 49.7 1.0 OE2 A:GLU74 4.3 73.0 1.0 HA A:GLU74 4.4 43.5 1.0 CB A:ASP53 4.5 32.9 1.0 H A:LYS75 4.5 45.2 1.0 HB2 A:ASP53 4.7 39.4 1.0 HB2 A:GLU51 4.8 56.6 1.0 CB A:GLU74 4.8 41.5 1.0 HB3 A:ASP53 4.8 39.4 1.0 CG A:GLU74 4.9 44.8 1.0

Zinc binding site 6 out of 6 in the Bovin Beta-Lactoglobulin Binding with Zinc Ions


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Bovin Beta-Lactoglobulin Binding with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:54.5 occ:0.63 OE1 B:GLU74 2.0 54.2 1.0 OE2 B:GLU74 2.0 65.1 1.0 OD2 B:ASP53 2.2 48.2 1.0 CD B:GLU74 2.3 63.3 1.0 CG B:ASP53 3.1 48.5 1.0 OD1 B:ASP53 3.3 42.5 1.0 CG B:GLU74 3.8 57.8 1.0 HG2 B:GLU74 4.2 69.3 1.0 HG3 B:GLU74 4.2 69.3 1.0 CB B:ASP53 4.5 46.5 1.0 HA B:GLU74 4.6 50.0 1.0 HB2 B:GLU51 4.6 65.7 1.0 HB2 B:GLU74 4.6 58.7 1.0 HB3 B:GLU51 4.6 65.7 1.0 HB2 B:ASP53 4.7 55.7 1.0 CB B:GLU74 4.8 48.9 1.0 HB3 B:ASP53 4.8 55.7 1.0 H B:LYS75 4.9 57.5 1.0

T.Li, R.Jiao, J.Ma, J.Zang, G.Zhao, T.Zhang. Zinc Binding Strength of Proteins Dominants Zinc Uptake in Caco-2 Cells. Rsc Adv V. 12 21122 2022.
ISSN: ESSN 2046-2069
PubMed: 35975046
DOI: 10.1039/D2RA03565K