Zinc in PDB 5buo: A Receptor Molecule

The structure of A Receptor Molecule, PDB code: 5buo was solved by C.Gao, G.A.N.Crespi, M.A.Gorman, T.L.Nero, M.W.Parker, L.A.Miles, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.64 / 2.31
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.410, 103.050, 108.850, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 24.1

The structure of A Receptor Molecule also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Zinc atom in the A Receptor Molecule (pdb code 5buo). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the A Receptor Molecule, PDB code: 5buo:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the A Receptor Molecule


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of A Receptor Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:45.4 occ:0.50 N A:SCN712 2.0 73.3 1.0 OXT A:ACT711 2.5 79.1 1.0 ND1 A:HIS359 2.7 47.9 1.0 C A:SCN712 3.1 76.8 1.0 CG A:HIS359 3.6 45.8 1.0 CB A:HIS359 3.6 42.2 1.0 C A:ACT711 3.7 74.1 1.0 CE1 A:HIS359 3.8 47.3 1.0 CE2 A:PHE360 4.0 44.6 1.0 CG2 A:VAL356 4.3 42.6 1.0 CA A:VAL356 4.3 39.0 1.0 O A:ACT711 4.5 72.7 1.0 CH3 A:ACT711 4.6 73.3 1.0 CD2 A:PHE360 4.6 41.7 1.0 S A:SCN712 4.7 80.7 1.0 O A:ALA355 4.7 41.1 1.0 CD2 A:HIS359 4.8 47.7 1.0 CB A:VAL356 4.8 43.1 1.0 CZ A:PHE360 4.8 43.9 1.0 NE2 A:HIS359 4.9 47.7 1.0 O A:VAL356 4.9 41.9 1.0 N A:VAL356 5.0 39.4 1.0

Zinc binding site 2 out of 6 in the A Receptor Molecule


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of A Receptor Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn702 b:30.7 occ:0.32 NE2 A:HIS327 1.9 44.2 1.0 OE2 A:GLU368 1.9 37.8 1.0 O A:HOH833 2.1 47.9 0.5 CE1 A:HIS327 2.9 44.0 1.0 CD2 A:HIS327 3.0 45.0 1.0 CD A:GLU368 3.0 55.8 1.0 OE1 A:GLU368 3.5 60.4 1.0 CE A:MET331 3.8 46.9 1.0 O A:HOH843 3.8 26.2 0.5 ND1 A:HIS327 4.1 45.2 1.0 CG A:HIS327 4.1 44.6 1.0 O A:HOH815 4.2 45.0 1.0 CG A:GLU368 4.3 45.0 1.0 CA A:GLU368 4.8 35.5 1.0 NH2 A:ARG375 4.9 48.0 1.0 CB A:GLU368 4.9 36.6 1.0

Zinc binding site 3 out of 6 in the A Receptor Molecule


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of A Receptor Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn703 b:43.4 occ:1.00 N A:SCN713 1.9 44.3 1.0 NE2 A:HIS439 1.9 36.9 1.0 CD2 A:HIS439 2.9 37.3 1.0 CE1 A:HIS439 3.0 36.9 1.0 C A:SCN713 3.0 47.4 1.0 CG A:HIS439 4.0 36.8 1.0 ND1 A:HIS439 4.1 37.8 1.0 CG2 A:VAL443 4.1 37.8 1.0 CG2 A:VAL379 4.2 54.5 1.0 O A:HOH844 4.3 44.8 1.0 S A:SCN713 4.7 52.0 1.0 CG1 A:VAL443 4.8 35.6 1.0 CB A:VAL443 4.9 37.7 1.0

Zinc binding site 4 out of 6 in the A Receptor Molecule


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of A Receptor Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn704 b:50.6 occ:1.00 ND1 A:HIS313 1.9 75.5 1.0 NE2 A:HIS382 1.9 53.7 1.0 NE2 A:HIS432 2.1 44.5 1.0 CE1 A:HIS313 2.5 74.4 1.0 O A:HOH839 2.5 61.8 1.0 CE1 A:HIS382 2.9 53.4 1.0 CD2 A:HIS382 2.9 53.9 1.0 CD2 A:HIS432 3.0 43.9 1.0 CE1 A:HIS432 3.1 43.9 1.0 CG A:HIS313 3.2 75.3 1.0 NE2 A:HIS313 3.8 74.7 1.0 CB A:HIS313 4.0 74.1 1.0 CG A:HIS382 4.1 52.7 1.0 ND1 A:HIS382 4.1 54.2 1.0 CD2 A:HIS313 4.1 75.3 1.0 CG A:HIS432 4.1 41.5 1.0 ND1 A:HIS432 4.2 43.6 1.0 CD2 A:PHE316 4.3 64.4 1.0 CA A:HIS313 4.5 75.9 1.0 CE2 A:PHE316 4.6 66.8 1.0 SD A:MET383 4.7 50.5 1.0 MG A:MG716 4.7 49.8 1.0 CG A:PHE316 4.9 64.8 1.0

Zinc binding site 5 out of 6 in the A Receptor Molecule


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of A Receptor Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn705 b:67.4 occ:1.00 NE2 A:HIS436 2.4 44.7 1.0 O A:HOH806 2.5 53.8 1.0 N A:SCN714 2.8 75.8 1.0 CE1 A:HIS436 3.3 44.4 1.0 CD2 A:HIS436 3.3 44.3 1.0 C A:SCN714 3.4 80.9 1.0 CD1 A:ILE451 3.9 44.0 1.0 ND1 A:HIS436 4.4 45.1 1.0 CG A:HIS436 4.4 42.4 1.0 S A:SCN714 4.5 87.2 1.0 NZ A:LYS447 4.7 88.2 1.0 CG2 A:ILE451 4.9 38.9 1.0

Zinc binding site 6 out of 6 in the A Receptor Molecule


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of A Receptor Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn706 b:45.1 occ:0.64 OD2 A:ASP429 1.8 44.4 1.0 NE2 A:HIS458 2.0 48.9 1.0 CG A:ASP429 2.6 44.2 1.0 OD1 A:ASP429 2.7 42.3 1.0 CE1 A:HIS458 2.9 48.2 1.0 CD2 A:HIS458 3.2 49.0 1.0 NH2 A:ARG394 3.4 37.3 0.5 OE2 A:GLU387 3.4 98.5 1.0 NH1 A:ARG394 3.8 31.4 0.5 CZ A:ARG394 3.9 55.2 0.5 CG1 A:ILE462 3.9 39.6 1.0 OD1 A:ASN391 4.0 63.3 1.0 CB A:ASP429 4.0 40.3 1.0 CD1 A:ILE462 4.0 35.4 1.0 ND1 A:HIS458 4.1 48.6 1.0 CG A:HIS458 4.2 46.1 1.0 NH2 A:ARG465 4.5 41.8 1.0 CD A:GLU387 4.5 0.3 1.0 C3 A:GOL709 4.9 67.8 1.0 OE1 A:GLU387 4.9 95.8 1.0

L.A.Miles, C.Gao, G.A.N.Crespi, M.A.Gorman, T.L.Nero, M.W.Parker, L.A.Miles. N/A N/A.