Zinc in PDB 8f9x: Cyclase-Pte

The structure of Cyclase-Pte, PDB code: 8f9x was solved by D.Ji, R.L.Frkic, C.J.Jackson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.04 / 2.32
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	68.08, 68.08, 446.501, 90, 90, 120
R / Rfree (%)	20.3 / 25.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30;

Binding sites:

The binding sites of Zinc atom in the Cyclase-Pte (pdb code 8f9x). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 30 binding sites of Zinc where determined in the Cyclase-Pte, PDB code: 8f9x:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 30 in the Cyclase-Pte


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Cyclase-Pte within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:51.5 occ:1.00 OE2 E:GLU157 2.0 52.9 1.0 NE2 A:HIS86 2.3 45.3 1.0 ND1 A:HIS84 2.3 48.1 1.0 CD E:GLU157 2.8 60.4 1.0 CB A:HIS84 3.0 55.8 1.0 CG A:HIS84 3.0 57.1 1.0 CE1 A:HIS86 3.2 58.7 1.0 CD2 A:HIS86 3.3 50.5 1.0 CE1 A:HIS84 3.5 48.4 1.0 OE1 E:GLU157 3.5 69.0 1.0 CG E:GLU157 3.8 71.1 1.0 CD2 A:HIS84 4.2 56.7 1.0 ND1 A:HIS86 4.3 59.2 1.0 NE2 A:HIS84 4.4 51.9 1.0 CG A:HIS86 4.4 55.7 1.0 CA A:HIS84 4.5 56.3 1.0 CD2 A:HIS121 4.9 54.3 1.0

Zinc binding site 2 out of 30 in the Cyclase-Pte


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Cyclase-Pte within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:49.7 occ:1.00 OE1 A:GLU194 2.1 57.1 1.0 OD1 A:ASP56 2.3 52.6 1.0 ND1 A:HIS50 2.3 49.6 1.0 NE2 A:HIS54 2.3 55.4 1.0 ZN A:ZN303 2.3 53.7 1.0 OD2 A:ASP56 2.8 53.9 1.0 CG A:ASP56 2.9 54.0 1.0 CD A:GLU194 3.0 56.4 1.0 CE1 A:HIS50 3.1 51.2 1.0 CG A:HIS50 3.2 52.1 1.0 CD2 A:HIS54 3.2 51.8 1.0 OE2 A:GLU194 3.3 50.5 1.0 CE1 A:HIS54 3.3 54.6 1.0 CB A:HIS50 3.6 52.0 1.0 O A:HOH401 3.7 33.9 1.0 NE2 A:HIS50 4.2 58.4 1.0 NE2 A:HIS60 4.2 54.1 1.0 CG A:GLU194 4.2 58.3 1.0 CD2 A:HIS50 4.2 53.3 1.0 CB A:ASP56 4.3 52.2 1.0 CD2 A:HIS60 4.4 49.5 1.0 CG A:HIS54 4.4 53.8 1.0 ND1 A:HIS54 4.4 54.7 1.0 O A:LEU169 4.5 61.1 1.0 NE2 A:HIS182 4.6 62.2 1.0 CA A:HIS50 4.6 57.4 1.0 CB A:GLU194 4.6 52.5 1.0 CA A:ASP56 4.9 52.7 1.0

Zinc binding site 3 out of 30 in the Cyclase-Pte


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Cyclase-Pte within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn303 b:53.7 occ:1.00 OD2 A:ASP56 2.0 53.9 1.0 OE2 A:GLU194 2.1 50.5 1.0 NE2 A:HIS182 2.3 62.2 1.0 ZN A:ZN302 2.3 49.7 1.0 CD A:GLU194 2.7 56.4 1.0 OE1 A:GLU194 2.7 57.1 1.0 O A:HOH401 2.9 33.9 1.0 CG A:ASP56 3.0 54.0 1.0 CD2 A:HIS182 3.2 55.3 1.0 CE1 A:HIS182 3.3 58.1 1.0 OD1 A:ASP56 3.4 52.6 1.0 NE2 A:HIS60 3.8 54.1 1.0 CD2 A:HIS60 3.9 49.5 1.0 OG A:SER170 4.1 76.9 1.0 CG A:GLU194 4.2 58.3 1.0 ND1 A:HIS50 4.2 49.6 1.0 CG A:HIS182 4.4 53.5 1.0 ND1 A:HIS182 4.4 50.1 1.0 CB A:ASP56 4.4 52.2 1.0 O A:LEU169 4.4 61.1 1.0 NE2 A:HIS54 4.4 55.4 1.0 CE1 A:HIS50 4.5 51.2 1.0 CB A:SER170 4.5 72.1 1.0 CA A:SER170 4.5 72.0 1.0 N A:LEU171 5.0 65.5 1.0

Zinc binding site 4 out of 30 in the Cyclase-Pte


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Cyclase-Pte within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:38.3 occ:1.00 CE1 B:HIS182 1.9 66.0 1.0 OD2 B:ASP56 2.1 41.6 1.0 OE2 B:GLU194 2.1 44.3 1.0 NE2 B:HIS182 2.3 60.3 1.0 ND1 B:HIS182 3.0 68.2 1.0 CD B:GLU194 3.1 42.4 1.0 CG B:ASP56 3.3 48.0 1.0 OE1 B:GLU194 3.5 49.0 1.0 CD2 B:HIS182 3.5 64.0 1.0 O B:HOH412 3.6 26.9 1.0 CG B:HIS182 3.9 59.8 1.0 OG B:SER170 3.9 58.0 1.0 OD1 B:ASP56 3.9 46.1 1.0 ZN B:ZN302 4.0 40.0 1.0 CD2 B:HIS60 4.2 42.8 1.0 CG B:GLU194 4.3 35.8 1.0 NE2 B:HIS60 4.3 38.6 1.0 N B:LEU171 4.4 52.1 1.0 CG B:LEU171 4.4 47.6 1.0 CB B:ASP56 4.4 46.5 1.0 CA B:SER170 4.6 50.9 1.0 CB B:SER170 4.7 55.0 1.0 CD1 B:LEU171 4.8 51.0 1.0 CB B:LEU171 4.9 53.0 1.0 CE1 B:PHE61 4.9 47.6 1.0

Zinc binding site 5 out of 30 in the Cyclase-Pte


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Cyclase-Pte within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:40.0 occ:1.00 OD1 B:ASP56 2.1 46.1 1.0 NE2 B:HIS54 2.3 50.4 1.0 ND1 B:HIS50 2.3 45.2 1.0 CD2 B:HIS54 2.7 48.0 1.0 OE1 B:GLU194 2.8 49.0 1.0 CG B:ASP56 3.0 48.0 1.0 CG B:HIS50 3.1 43.6 1.0 O B:HOH412 3.2 26.9 1.0 OD2 B:ASP56 3.3 41.6 1.0 CB B:HIS50 3.3 46.7 1.0 CE1 B:HIS50 3.3 43.6 1.0 CE1 B:HIS54 3.5 48.1 1.0 CD B:GLU194 3.8 42.4 1.0 CA B:HIS50 3.9 53.9 1.0 CG B:HIS54 3.9 48.6 1.0 ZN B:ZN301 4.0 38.3 1.0 NE2 B:HIS60 4.1 38.6 1.0 OE2 B:GLU194 4.2 44.3 1.0 CD2 B:HIS60 4.2 42.8 1.0 CD2 B:HIS50 4.3 48.6 1.0 ND1 B:HIS54 4.3 47.7 1.0 CB B:ASP56 4.4 46.5 1.0 NE2 B:HIS50 4.4 48.3 1.0 O B:HIS50 4.5 50.4 1.0 C B:HIS50 4.5 53.0 1.0 CA B:ASP56 4.7 47.5 1.0 CE1 B:HIS60 4.9 39.4 1.0 O B:VAL55 5.0 45.3 1.0 CG B:GLU194 5.0 35.8 1.0 N B:ASP56 5.0 45.1 1.0

Zinc binding site 6 out of 30 in the Cyclase-Pte


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Cyclase-Pte within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn303 b:57.9 occ:1.00 NE2 B:HIS86 2.3 48.6 1.0 ND1 B:HIS84 2.3 52.9 1.0 OE1 G:GLU157 2.5 69.0 1.0 CE1 B:HIS86 2.6 54.4 1.0 OE2 G:GLU157 2.7 70.0 1.0 CD G:GLU157 2.8 68.0 1.0 CE1 B:HIS84 3.0 52.2 1.0 CG B:HIS84 3.3 53.3 1.0 CD2 B:HIS86 3.6 53.8 1.0 CB B:HIS84 3.8 52.2 1.0 ND1 B:HIS86 3.9 60.4 1.0 CG G:GLU157 4.1 66.8 1.0 NE2 B:HIS84 4.1 50.3 1.0 OE2 B:GLU87 4.2 72.9 1.0 CD2 B:HIS84 4.3 52.5 1.0 CG B:HIS86 4.4 55.8 1.0 CD B:GLU87 4.7 68.7 1.0 CB G:GLU157 5.0 70.4 1.0

Zinc binding site 7 out of 30 in the Cyclase-Pte


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Cyclase-Pte within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:64.0 occ:1.00 OD1 C:ASP56 2.3 55.4 1.0 ND1 C:HIS50 2.3 47.1 1.0 NE2 C:HIS54 2.3 51.8 1.0 ZN C:ZN302 2.3 53.4 1.0 OD2 C:ASP56 2.7 41.5 1.0 CG C:ASP56 2.8 46.3 1.0 CE1 C:HIS54 3.0 53.7 1.0 CE1 C:HIS50 3.0 54.3 1.0 O C:HOH414 3.3 42.7 1.0 CG C:HIS50 3.3 52.9 1.0 OE2 C:GLU194 3.5 42.2 1.0 CD2 C:HIS54 3.5 54.1 1.0 CG C:GLU194 3.6 48.7 1.0 NE2 C:HIS60 3.7 52.2 1.0 CB C:HIS50 3.8 51.7 1.0 CD2 C:HIS60 3.9 49.4 1.0 CD C:GLU194 4.0 48.2 1.0 NE2 C:HIS50 4.1 58.5 1.0 ND1 C:HIS54 4.2 50.5 1.0 CB C:ASP56 4.2 45.7 1.0 CD2 C:HIS50 4.3 53.2 1.0 CG C:HIS54 4.5 49.9 1.0 NE2 C:HIS182 4.5 46.8 1.0 CE1 C:HIS60 4.6 50.9 1.0 CB C:GLU194 4.7 50.8 1.0 CA C:ASP56 4.8 44.6 1.0 CA C:HIS50 4.8 54.4 1.0 CG C:HIS60 4.9 53.0 1.0 O C:LEU169 5.0 62.4 1.0

Zinc binding site 8 out of 30 in the Cyclase-Pte


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Cyclase-Pte within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn302 b:53.4 occ:1.00 OD2 C:ASP56 2.0 41.5 1.0 OE2 C:GLU194 2.2 42.2 1.0 NE2 C:HIS182 2.3 46.8 1.0 ZN C:ZN301 2.3 64.0 1.0 CG C:ASP56 3.0 46.3 1.0 O C:HOH414 3.2 42.7 1.0 CD2 C:HIS182 3.2 45.9 1.0 CE1 C:HIS182 3.3 42.8 1.0 CD C:GLU194 3.4 48.2 1.0 OD1 C:ASP56 3.4 55.4 1.0 NE2 C:HIS60 3.8 52.2 1.0 CG C:GLU194 3.8 48.7 1.0 CD2 C:HIS60 3.9 49.4 1.0 CB C:ASP56 4.3 45.7 1.0 ND1 C:HIS182 4.4 47.0 1.0 CG C:HIS182 4.4 51.2 1.0 OE1 C:GLU194 4.4 52.9 1.0 ND1 C:HIS50 4.4 47.1 1.0 NE2 C:HIS54 4.4 51.8 1.0 N C:LEU171 4.5 52.1 1.0 CG C:LEU171 4.6 46.6 1.0 OG C:SER170 4.6 49.1 1.0 CA C:SER170 4.7 54.4 1.0 CE1 C:HIS50 4.7 54.3 1.0 O C:LEU169 4.8 62.4 1.0 CE1 C:HIS54 4.9 53.7 1.0 CD1 C:LEU171 4.9 44.1 1.0 CE1 C:PHE61 5.0 51.6 1.0 CB C:SER170 5.0 52.7 1.0

Zinc binding site 9 out of 30 in the Cyclase-Pte


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Cyclase-Pte within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn303 b:58.7 occ:1.00 NE2 C:HIS86 2.3 57.6 1.0 ND1 C:HIS84 2.3 61.8 1.0 CE1 C:HIS84 2.7 59.4 1.0 CE1 C:HIS86 3.0 64.3 1.0 CD2 C:HIS86 3.4 67.3 1.0 CG C:HIS84 3.6 58.1 1.0 NE2 C:HIS84 3.9 63.6 1.0 ND1 C:HIS86 4.2 65.6 1.0 CB C:HIS84 4.3 61.0 1.0 CD2 C:HIS84 4.4 58.5 1.0 CG C:HIS86 4.4 65.5 1.0 CD2 C:HIS121 4.4 63.0 1.0 NE2 C:HIS121 4.6 55.6 1.0

Zinc binding site 10 out of 30 in the Cyclase-Pte


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Cyclase-Pte within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:71.8 occ:1.00 CD2 D:HIS50 1.6 73.1 1.0 NE2 D:HIS50 2.3 71.9 1.0 NE2 D:HIS54 2.3 63.8 1.0 ZN D:ZN302 2.3 73.9 1.0 OD1 D:ASP56 2.3 69.0 1.0 OE1 D:GLU194 2.6 67.1 1.0 CG D:HIS50 2.8 69.3 1.0 OD2 D:ASP56 2.9 67.3 1.0 CG D:ASP56 2.9 76.0 1.0 CD D:GLU194 3.1 64.1 1.0 CE1 D:HIS54 3.2 62.5 1.0 OE2 D:GLU194 3.3 55.9 1.0 CD2 D:HIS54 3.3 59.5 1.0 CZ C:PHE40 3.4 93.5 1.0 CE1 D:HIS50 3.4 66.3 1.0 NE2 D:HIS60 3.6 77.4 1.0 ND1 D:HIS50 3.6 65.2 1.0 CB D:HIS50 3.6 65.8 1.0 O D:HOH401 3.8 63.6 1.0 CE2 C:PHE40 3.9 94.0 1.0 CD2 D:HIS60 4.0 76.9 1.0 CG D:GLU194 4.1 55.2 1.0 CE1 C:PHE40 4.3 93.3 1.0 CE1 D:HIS60 4.3 79.1 1.0 ND1 D:HIS54 4.3 58.7 1.0 CB D:ASP56 4.4 70.8 1.0 NE2 D:HIS182 4.4 66.0 1.0 CG D:HIS54 4.4 54.8 1.0 CA D:HIS50 4.6 59.6 1.0 CB D:GLU194 4.7 55.4 1.0 CG D:HIS60 4.9 71.7 1.0 CA D:ASP56 4.9 65.8 1.0 O D:VAL55 4.9 59.9 1.0

D.Ji, R.L.Frkic, C.J.Jackson. Cyclase-Pte To Be Published.