Zinc in PDB 5iiu: Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9

The structure of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9, PDB code: 5iiu was solved by K.B.Handing, I.G.Shabalin, D.R.Cooper, M.T.Cymborowski, S.C.Almo, W.Minor, New York Structural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.01 / 2.30
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	93.746, 93.746, 141.789, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 24

The binding sites of Zinc atom in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 (pdb code 5iiu). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 10 binding sites of Zinc where determined in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9, PDB code: 5iiu:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 10 in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:47.9 occ:0.50 O A:HOH830 2.0 37.4 1.0 O A:HOH807 2.0 51.2 1.0 O A:HOH787 2.0 64.7 1.0 ND1 A:HIS18 2.0 49.2 1.0 CE1 A:HIS18 3.0 53.2 1.0 CG A:HIS18 3.1 52.2 1.0 CB A:HIS18 3.4 43.0 1.0 NE2 A:HIS18 4.1 58.7 1.0 CD2 A:HIS18 4.2 48.0 1.0 O A:LEU14 4.3 53.1 1.0 CD2 A:LEU14 4.6 59.7 1.0 CG A:LEU283 4.9 75.0 1.0 CA A:HIS18 5.0 39.9 1.0

Zinc binding site 2 out of 10 in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:70.9 occ:1.00 O A:HOH790 2.0 49.9 1.0 OD2 A:ASP248 2.0 78.0 1.0 NE2 A:HIS67 2.0 75.6 1.0 ND1 A:HIS246 2.1 59.2 1.0 CG A:ASP248 2.6 73.3 1.0 OD1 A:ASP248 2.6 0.4 1.0 CE1 A:HIS246 2.9 86.3 1.0 CE1 A:HIS67 2.9 52.2 1.0 CD2 A:HIS67 3.1 63.1 1.0 CG A:HIS246 3.2 80.9 1.0 CB A:HIS246 3.7 65.6 1.0 O A:HIS246 3.9 50.4 1.0 CB A:ASP248 4.0 67.8 1.0 ND1 A:HIS67 4.1 68.8 1.0 NE2 A:HIS246 4.1 87.1 1.0 CG A:HIS67 4.2 66.3 1.0 CD2 A:HIS246 4.2 95.2 1.0 OD1 A:ASN99 4.4 71.7 1.0 C A:HIS246 4.5 53.3 1.0 N A:ASP248 4.6 59.1 1.0 CA A:HIS246 4.7 51.2 1.0 CA A:ASP248 4.7 62.5 1.0

Zinc binding site 3 out of 10 in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn603 b:57.0 occ:0.80 O A:HOH832 2.0 36.6 1.0 O A:HOH806 2.0 55.0 1.0 O A:HOH824 2.0 43.9 1.0 NE2 A:HIS145 2.1 71.3 1.0 CE1 A:HIS145 3.1 70.8 1.0 CD2 A:HIS145 3.1 50.6 1.0 O A:HOH821 3.9 60.2 1.0 ND1 A:HIS145 4.2 53.9 1.0 CG A:HIS145 4.2 47.2 1.0 CG2 A:ILE188 4.3 44.4 1.0 CB A:ARG144 4.4 49.1 1.0 CD A:ARG144 4.5 53.8 1.0 CE A:LYS185 4.8 96.1 1.0 CD2 A:LEU189 4.9 67.1 1.0

Zinc binding site 4 out of 10 in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn604 b:55.2 occ:0.70 OE2 A:GLU152 2.0 63.8 1.0 O A:HOH802 2.0 54.0 1.0 NE2 A:HIS156 2.1 64.5 1.0 NE2 A:HIS287 2.1 62.7 1.0 CD A:GLU152 2.9 74.4 1.0 CE1 A:HIS156 3.0 69.4 1.0 CD2 A:HIS287 3.1 53.9 1.0 CE1 A:HIS287 3.1 58.2 1.0 CD2 A:HIS156 3.1 54.7 1.0 OE1 A:GLU152 3.6 94.7 1.0 CG A:GLU152 3.9 75.8 1.0 ND1 A:HIS156 4.1 55.7 1.0 ND1 A:HIS287 4.2 50.6 1.0 CG A:HIS156 4.2 50.2 1.0 CG A:HIS287 4.2 54.6 1.0 OG A:SER191 4.3 60.9 1.0 CD2 A:PHE155 4.4 48.4 1.0 CB A:SER191 4.5 45.5 1.0 CE2 A:PHE155 4.5 53.8 1.0 CD A:GLU291 5.0 97.6 1.0 OE2 A:GLU291 5.0 69.3 1.0

Zinc binding site 5 out of 10 in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn605 b:66.6 occ:0.60 OD2 A:ASP311 2.0 76.7 1.0 O A:HOH822 2.0 70.1 1.0 O A:HOH703 2.0 78.1 1.0 NE2 A:HIS317 2.1 83.3 1.0 CG A:ASP311 2.7 65.7 1.0 OD1 A:ASP311 2.9 64.3 1.0 CE1 A:HIS317 3.0 89.5 1.0 CD2 A:HIS317 3.1 79.3 1.0 O A:HOH731 4.1 57.3 1.0 ND1 A:HIS317 4.1 83.3 1.0 CB A:ASP311 4.2 62.7 1.0 CG A:HIS317 4.2 85.1 1.0 CB A:GLU313 4.3 77.8 1.0 N A:GLU313 4.8 60.9 1.0 C A:GLU313 4.8 70.6 1.0 CA A:GLU313 4.9 76.9 1.0 O A:GLU313 4.9 65.8 1.0 CG A:GLU313 4.9 83.8 1.0

Zinc binding site 6 out of 10 in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn606 b:90.1 occ:0.50 O A:HOH786 2.0 99.6 1.0 O A:HOH798 2.0 83.8 1.0 OE1 A:GLU57 2.0 0.2 1.0 O A:HOH797 2.0 73.8 1.0 OE2 A:GLU57 2.5 83.9 1.0 CD A:GLU57 2.6 88.0 1.0 CB A:HIS3 3.7 0.9 1.0 CG A:GLU57 4.1 76.2 1.0 N A:LYS4 4.2 0.8 1.0 CA A:HIS3 4.6 0.2 1.0 CB A:GLU57 4.8 68.8 1.0 CG A:HIS3 4.8 0.4 1.0 N A:SER5 4.8 71.3 1.0 CG A:LYS4 4.9 0.6 1.0 CB A:LYS4 5.0 94.8 1.0 C A:HIS3 5.0 0.8 1.0

Zinc binding site 7 out of 10 in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn607 b:64.2 occ:0.20 OD1 A:ASP339 2.0 64.8 1.0 O A:HOH776 2.0 71.2 1.0 ND1 A:HIS337 2.0 49.1 1.0 OD2 A:ASP339 2.5 63.4 1.0 CG A:ASP339 2.5 59.6 1.0 CE1 A:HIS337 2.9 45.1 1.0 CG A:HIS337 3.0 42.4 1.0 CE1 A:TYR340 3.3 47.5 1.0 CB A:HIS337 3.4 43.2 1.0 CD1 A:TYR340 3.6 51.2 1.0 CA A:HIS337 3.6 57.8 1.0 CZ A:TYR340 3.8 47.5 1.0 CB A:ASP339 4.0 58.1 1.0 NE2 A:HIS337 4.1 51.0 1.0 CD2 A:HIS337 4.1 42.2 1.0 O A:ARG336 4.2 48.5 1.0 OH A:TYR340 4.3 60.2 1.0 CG A:TYR340 4.4 46.7 1.0 C A:HIS337 4.4 49.7 1.0 CE2 A:TYR340 4.5 47.1 1.0 N A:ASP339 4.6 45.5 1.0 CA A:ASP339 4.7 52.8 1.0 N A:HIS337 4.7 66.9 1.0 CD2 A:TYR340 4.8 43.9 1.0 C A:ASP339 4.8 49.5 1.0 N A:TYR340 4.9 49.8 1.0 C A:ARG336 4.9 65.6 1.0 N A:PRO338 5.0 43.5 1.0

Zinc binding site 8 out of 10 in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn608 b:95.9 occ:0.50 O A:HOH715 2.0 82.0 1.0 OD2 A:ASP511 2.0 0.1 1.0 ND1 A:HIS509 2.1 0.1 1.0 OD1 A:ASP511 2.6 0.2 1.0 CG A:ASP511 2.6 79.4 1.0 CE1 A:HIS509 3.1 0.5 1.0 CG A:HIS509 3.2 93.0 1.0 CB A:HIS509 3.5 71.8 1.0 N A:HIS509 3.6 52.5 1.0 CB A:ASP511 4.1 74.0 1.0 CA A:HIS509 4.1 56.2 1.0 NE2 A:HIS509 4.2 0.9 1.0 CD2 A:HIS509 4.3 85.5 1.0 C A:PHE508 4.3 55.1 1.0 O A:THR507 4.4 67.8 1.0 CA A:PHE508 4.5 61.4 1.0 C A:HIS509 4.6 58.7 1.0 O A:HIS509 4.7 58.3 1.0

Zinc binding site 9 out of 10 in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn609 b:0.5 occ:0.40 OE2 A:GLU6 2.0 0.8 1.0 NE2 A:HIS3 2.0 0.2 1.0 CD A:GLU6 2.7 0.4 1.0 OE1 A:GLU6 2.8 0.1 1.0 CE1 A:HIS3 3.0 1.0 1.0 CD2 A:HIS3 3.0 0.6 1.0 O A:HOH866 3.1 71.0 1.0 ND1 A:HIS9 3.3 0.5 1.0 CE1 A:HIS9 3.5 0.8 1.0 O A:HOH836 3.7 75.8 1.0 NH2 A:ARG10 4.0 73.1 1.0 ND1 A:HIS3 4.1 0.8 1.0 CG A:HIS3 4.2 0.4 1.0 CG A:GLU6 4.2 87.3 1.0 CG A:HIS9 4.5 0.4 1.0 CZ A:ARG10 4.6 57.9 1.0 NE2 A:HIS9 4.8 0.9 1.0

Zinc binding site 10 out of 10 in the Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Equine Serum Albumin in the Presence of 10 Mm Zinc at pH 6.9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn610 b:95.7 occ:0.40 OD2 A:ASP13 2.0 72.8 1.0 OD2 A:ASP254 2.0 89.6 1.0 NE2 A:HIS9 2.1 0.9 1.0 CG A:ASP13 3.0 66.4 1.0 CE1 A:HIS9 3.0 0.8 1.0 CG A:ASP254 3.1 57.6 1.0 CD2 A:HIS9 3.1 0.5 1.0 OD1 A:ASP254 3.5 66.5 1.0 OD1 A:ASP13 3.8 62.0 1.0 CB A:ASP13 3.8 62.6 1.0 NH1 A:ARG10 3.8 63.2 1.0 ND1 A:HIS9 4.1 0.5 1.0 CG A:HIS9 4.2 0.4 1.0 CB A:ASP254 4.4 61.6 1.0 CZ A:ARG10 5.0 57.9 1.0

K.B.Handing, I.G.Shabalin, O.Kassaar, S.Khazaipoul, C.A.Blindauer, A.J.Stewart, M.Chruszcz, W.Minor. Circulatory Zinc Transport Is Controlled By Distinct Interdomain Sites on Mammalian Albumins. Chem Sci V. 7 6635 2016.
ISSN: ISSN 2041-6520
PubMed: 28567254
DOI: 10.1039/C6SC02267G