Zinc in PDB 9ges: Crystal Structure of HEI10

All present enzymatic activity of Crystal Structure of HEI10:
2.3.2.27;

The structure of Crystal Structure of HEI10, PDB code: 9ges was solved by A.E.Milburn, C.Espejo-Serrano, J.M.Dunce, O.R.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.46 / 2.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.198, 73.857, 124.032, 90, 99.28, 90
R / Rfree (%)	25 / 28.9

The binding sites of Zinc atom in the Crystal Structure of HEI10 (pdb code 9ges). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Crystal Structure of HEI10, PDB code: 9ges:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in the Crystal Structure of HEI10


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 HEI10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:111.9 occ:1.00 ND1 A:HIS36 2.1 104.5 1.0 SG A:CYS33 2.4 77.7 1.0 SG A:CYS10 2.4 60.9 1.0 SG A:CYS15 2.4 91.5 1.0 CB A:CYS15 2.8 88.4 1.0 CE1 A:HIS36 2.9 93.6 1.0 CG A:HIS36 3.0 92.7 1.0 CB A:CYS10 3.4 44.8 1.0 CB A:HIS36 3.5 73.2 1.0 CB A:CYS33 3.6 61.7 1.0 NE2 A:HIS36 4.0 85.3 1.0 CD2 A:HIS36 4.1 89.6 1.0 CB A:TYR12 4.2 112.2 1.0 N A:CYS33 4.2 48.2 1.0 CA A:CYS15 4.3 71.5 1.0 CA A:CYS33 4.5 52.3 1.0 N A:HIS36 4.6 73.6 1.0 CA A:HIS36 4.7 68.8 1.0 CG2 A:ILE17 4.7 45.8 1.0 CA A:CYS10 4.9 46.5 1.0 CG A:TYR12 4.9 125.0 1.0 C A:CYS15 5.0 58.7 1.0

Zinc binding site 2 out of 8 in the Crystal Structure of HEI10


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 HEI10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn202 b:77.3 occ:1.00 ND1 A:HIS30 2.0 59.9 1.0 SG A:CYS28 2.3 77.8 1.0 SG A:CYS48 2.3 117.6 1.0 SG A:CYS51 2.3 100.7 1.0 CE1 A:HIS30 2.7 62.8 1.0 CG A:HIS30 3.1 49.4 1.0 CB A:CYS48 3.3 87.8 1.0 CB A:CYS28 3.3 58.5 1.0 CB A:HIS30 3.7 49.9 1.0 CB A:CYS51 3.8 77.1 1.0 NE2 A:HIS30 3.8 69.7 1.0 O A:CYS28 4.0 67.7 1.0 OG1 A:THR26 4.0 64.3 1.0 N A:CYS51 4.0 75.5 1.0 CD2 A:HIS30 4.0 45.9 1.0 C A:CYS28 4.4 64.6 1.0 CA A:CYS28 4.4 68.0 1.0 CB A:ALA50 4.5 75.8 1.0 CA A:CYS51 4.5 70.1 1.0 OG A:SER53 4.7 66.7 1.0 CA A:CYS48 4.7 86.4 1.0 CB A:SER53 4.7 69.5 1.0 CB A:THR26 4.9 64.5 1.0 N A:HIS30 4.9 51.6 1.0 CA A:HIS30 4.9 50.3 1.0

Zinc binding site 3 out of 8 in the Crystal Structure of HEI10


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 HEI10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:68.4 occ:1.00 ND1 B:HIS36 2.1 75.6 1.0 SG B:CYS33 2.3 47.4 1.0 SG B:CYS10 2.4 48.3 1.0 SG B:CYS15 2.4 71.9 1.0 CE1 B:HIS36 2.9 74.5 1.0 CB B:CYS15 2.9 56.0 1.0 CG B:HIS36 3.1 74.8 1.0 CB B:CYS10 3.4 48.9 1.0 CB B:HIS36 3.5 57.9 1.0 CB B:CYS33 3.5 49.9 1.0 CB B:TYR12 4.0 62.6 1.0 NE2 B:HIS36 4.0 62.0 1.0 CD2 B:HIS36 4.1 62.2 1.0 N B:CYS33 4.1 33.3 1.0 CA B:CYS33 4.4 37.4 1.0 CA B:CYS15 4.4 54.1 1.0 N B:HIS36 4.6 44.3 1.0 CA B:HIS36 4.7 43.6 1.0 CG B:TYR12 4.8 70.0 1.0 CA B:CYS10 4.9 39.0 1.0

Zinc binding site 4 out of 8 in the Crystal Structure of HEI10


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 HEI10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:39.4 occ:1.00 ND1 B:HIS30 2.0 30.2 1.0 SG B:CYS28 2.3 40.5 1.0 SG B:CYS51 2.3 46.1 1.0 SG B:CYS48 2.3 57.0 1.0 CE1 B:HIS30 2.7 30.6 1.0 CG B:HIS30 3.2 28.1 1.0 CB B:CYS48 3.3 54.8 1.0 CB B:CYS28 3.3 32.1 1.0 CB B:CYS51 3.7 49.4 1.0 CB B:HIS30 3.7 27.8 1.0 NE2 B:HIS30 3.9 31.8 1.0 N B:CYS51 3.9 36.4 1.0 OG1 B:THR26 4.0 36.8 1.0 O B:CYS28 4.1 31.2 1.0 CD2 B:HIS30 4.1 26.7 1.0 CB B:ALA50 4.3 32.9 1.0 CA B:CYS51 4.4 49.3 1.0 C B:CYS28 4.5 31.9 1.0 CA B:CYS28 4.5 33.4 1.0 OG B:SER53 4.5 77.8 1.0 CB B:SER53 4.7 73.3 1.0 CA B:CYS48 4.7 60.5 1.0 CB B:THR26 4.9 30.2 1.0 C B:ALA50 4.9 39.7 1.0 N B:HIS30 5.0 32.9 1.0 CA B:HIS30 5.0 26.7 1.0 N B:ALA50 5.0 60.1 1.0 CA B:ALA50 5.0 36.3 1.0

Zinc binding site 5 out of 8 in the Crystal Structure of HEI10


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 HEI10 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn201 b:72.3 occ:1.00 ND1 C:HIS30 2.0 50.3 1.0 SG C:CYS28 2.2 108.2 1.0 SG C:CYS51 2.3 67.4 1.0 CB C:CYS28 2.3 45.1 1.0 SG C:CYS48 2.4 34.4 1.0 CE1 C:HIS30 2.6 39.5 1.0 CG C:HIS30 3.1 42.7 1.0 O C:CYS28 3.3 49.6 1.0 CB C:CYS48 3.5 52.7 1.0 CA C:CYS28 3.6 31.6 1.0 NE2 C:HIS30 3.7 35.6 1.0 C C:CYS28 3.7 38.6 1.0 CB C:HIS30 3.8 39.7 1.0 CD2 C:HIS30 4.0 32.3 1.0 CB C:CYS51 4.0 53.7 1.0 OG1 C:THR26 4.2 38.1 1.0 N C:CYS51 4.4 44.3 1.0 OG C:SER53 4.6 72.5 1.0 N C:CYS28 4.6 32.0 1.0 CB C:SER53 4.7 65.1 1.0 CB C:ALA50 4.7 25.4 1.0 CA C:CYS51 4.8 54.0 1.0 N C:HIS30 4.8 34.3 1.0 N C:SER29 4.9 42.0 1.0 CA C:CYS48 4.9 50.9 1.0 CA C:HIS30 4.9 36.0 1.0

Zinc binding site 6 out of 8 in the Crystal Structure of HEI10


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 HEI10 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn202 b:67.8 occ:1.00 ND1 C:HIS36 2.0 82.1 1.0 SG C:CYS33 2.3 71.2 1.0 SG C:CYS15 2.4 75.4 1.0 SG C:CYS10 2.4 34.1 1.0 CE1 C:HIS36 2.7 75.8 1.0 CB C:CYS15 3.1 63.6 1.0 CG C:HIS36 3.2 85.7 1.0 CB C:CYS10 3.3 30.7 1.0 CB C:CYS33 3.7 78.2 1.0 CB C:HIS36 3.8 70.4 1.0 NE2 C:HIS36 3.9 70.7 1.0 N C:CYS33 4.1 37.2 1.0 CD2 C:HIS36 4.1 83.3 1.0 CB C:TYR12 4.4 58.4 1.0 CG2 C:ILE17 4.4 25.5 1.0 CA C:CYS33 4.5 39.9 1.0 CA C:CYS15 4.6 61.4 1.0 N C:HIS36 4.6 53.8 1.0 CA C:CYS10 4.8 35.8 1.0 CA C:HIS36 4.8 62.6 1.0

Zinc binding site 7 out of 8 in the Crystal Structure of HEI10


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 HEI10 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn201 b:55.8 occ:1.00 ND1 D:HIS30 2.0 23.2 1.0 SG D:CYS51 2.3 33.0 1.0 SG D:CYS28 2.3 45.4 1.0 SG D:CYS48 2.4 35.7 1.0 CE1 D:HIS30 2.7 23.0 1.0 CG D:HIS30 3.1 19.2 1.0 CB D:CYS48 3.4 43.5 1.0 CB D:CYS28 3.4 23.8 1.0 CB D:HIS30 3.7 23.0 1.0 CB D:CYS51 3.7 42.2 1.0 NE2 D:HIS30 3.8 28.4 1.0 OG1 D:THR26 4.0 22.9 1.0 N D:CYS51 4.0 31.2 1.0 O D:CYS28 4.0 23.2 1.0 CD2 D:HIS30 4.1 20.4 1.0 C D:CYS28 4.4 25.4 1.0 CA D:CYS51 4.4 35.8 1.0 CB D:ALA50 4.5 34.5 1.0 CA D:CYS28 4.5 22.1 1.0 OG D:SER53 4.6 46.7 1.0 CB D:SER53 4.8 41.2 1.0 CA D:CYS48 4.8 41.3 1.0 CB D:THR26 4.9 29.3 1.0 N D:HIS30 4.9 27.5 1.0 CA D:HIS30 4.9 21.2 1.0 C D:ALA50 5.0 21.3 1.0

Zinc binding site 8 out of 8 in the Crystal Structure of HEI10


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 HEI10 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn202 b:74.1 occ:1.00 ND1 D:HIS36 2.1 70.5 1.0 SG D:CYS33 2.3 62.1 1.0 SG D:CYS15 2.4 54.5 1.0 SG D:CYS10 2.4 39.4 1.0 CB D:CYS15 2.9 39.5 1.0 CE1 D:HIS36 2.9 60.6 1.0 CG D:HIS36 3.0 66.6 1.0 CB D:CYS10 3.4 33.6 1.0 CB D:HIS36 3.5 61.1 1.0 CB D:CYS33 3.5 61.9 1.0 NE2 D:HIS36 4.0 47.9 1.0 N D:CYS33 4.1 30.5 1.0 CD2 D:HIS36 4.1 51.4 1.0 CB D:TYR12 4.2 50.0 1.0 CA D:CYS33 4.4 36.6 1.0 CA D:CYS15 4.4 45.1 1.0 N D:HIS36 4.5 59.4 1.0 CA D:HIS36 4.6 49.0 1.0 CG2 D:ILE17 4.9 24.9 1.0 CA D:CYS10 4.9 27.5 1.0 CG D:TYR12 5.0 60.8 1.0

A.E.Milburn, C.Espejo-Serrano, J.M.Dunce, O.R.Davies. Crystal Structure of HEI10 To Be Published.