Zinc in PDB 6fwv: The Bacillus Anthracis Tie Protein

The structure of The Bacillus Anthracis Tie Protein, PDB code: 6fwv was solved by O.K.Miller, M.J.Banfield, U.Schwarz-Linek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.18 / 2.58
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	208.824, 66.500, 106.581, 90.00, 116.81, 90.00
R / Rfree (%)	22.1 / 25.6

The binding sites of Zinc atom in the The Bacillus Anthracis Tie Protein (pdb code 6fwv). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the The Bacillus Anthracis Tie Protein, PDB code: 6fwv:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7;

Zinc binding site 1 out of 7 in the The Bacillus Anthracis Tie Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Bacillus Anthracis Tie Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:55.9 occ:1.00 OE1 A:GLU112 1.8 48.5 1.0 O A:HOH720 2.0 50.6 1.0 OE2 B:GLU513 2.1 67.0 1.0 ND1 A:HIS115 2.1 44.2 1.0 CD A:GLU112 2.7 52.9 1.0 CE1 A:HIS115 2.9 45.7 1.0 CD B:GLU513 3.0 68.1 1.0 OE2 A:GLU112 3.0 57.5 1.0 OE1 B:GLU513 3.2 67.0 1.0 CG A:HIS115 3.2 43.7 1.0 O A:HOH707 3.4 41.6 1.0 CB A:HIS115 3.6 45.1 1.0 NE2 A:HIS115 4.1 45.5 1.0 CG A:GLU112 4.1 52.3 1.0 CD2 A:HIS115 4.3 43.8 1.0 CG B:GLU513 4.4 69.3 1.0 CB A:ALA109 4.5 47.8 1.0 NZ A:LYS119 4.6 55.7 1.0 N B:ASN514 4.8 73.6 1.0 CA A:GLU112 4.8 49.5 1.0 CB A:GLU112 4.9 51.8 1.0

Zinc binding site 2 out of 7 in the The Bacillus Anthracis Tie Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Bacillus Anthracis Tie Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:70.6 occ:1.00 OD1 A:ASN69 2.3 52.6 1.0 OE2 A:GLU128 2.3 53.4 1.0 O A:HOH723 2.8 39.8 1.0 O B:HOH712 2.9 29.3 1.0 CD A:GLU128 3.1 52.2 1.0 OE1 A:GLU128 3.2 54.5 1.0 CG A:ASN69 3.2 43.9 1.0 ND2 A:ASN69 3.6 42.3 1.0 NZ A:LYS74 4.4 71.0 1.0 CG A:GLU128 4.4 52.0 1.0 CB A:ASN69 4.5 44.6 1.0 ZN B:ZN602 4.5 0.3 1.0 CB A:ALA124 5.0 49.4 1.0

Zinc binding site 3 out of 7 in the The Bacillus Anthracis Tie Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Bacillus Anthracis Tie Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn603 b:0.7 occ:1.00 OD2 A:ASP142 2.7 78.2 1.0 OD1 A:ASP142 2.8 79.3 1.0 CG A:ASP142 3.1 74.3 1.0 CB A:ASP142 4.6 69.1 1.0

Zinc binding site 4 out of 7 in the The Bacillus Anthracis Tie Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Bacillus Anthracis Tie Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn604 b:0.6 occ:1.00 OE1 A:GLU377 2.8 77.6 1.0 O B:HOH719 2.9 38.3 1.0 CD A:GLU377 3.4 72.4 1.0 NZ B:LYS74 3.4 67.3 1.0 OE2 A:GLU377 3.5 78.0 1.0 O A:HOH719 4.0 32.5 1.0 ZN B:ZN601 4.2 72.1 1.0 CE B:LYS74 4.5 64.5 1.0 CG A:GLU377 4.7 67.4 1.0 CB A:GLU377 4.9 66.7 1.0

Zinc binding site 5 out of 7 in the The Bacillus Anthracis Tie Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of The Bacillus Anthracis Tie Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:72.1 occ:1.00 OD1 B:ASN69 2.2 52.0 1.0 OE2 B:GLU128 2.5 48.5 1.0 O B:HOH719 2.9 38.3 1.0 O A:HOH719 3.1 32.5 1.0 CG B:ASN69 3.2 44.2 1.0 CD B:GLU128 3.2 48.5 1.0 OE1 B:GLU128 3.3 49.6 1.0 ND2 B:ASN69 3.6 45.7 1.0 ZN A:ZN604 4.2 0.6 1.0 NZ B:LYS74 4.3 67.3 1.0 CB B:ASN69 4.5 44.1 1.0 CG B:GLU128 4.6 47.1 1.0 OE1 A:GLU377 4.9 77.6 1.0

Zinc binding site 6 out of 7 in the The Bacillus Anthracis Tie Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of The Bacillus Anthracis Tie Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn602 b:0.3 occ:1.00 OE1 B:GLU377 2.5 85.6 1.0 O B:HOH720 2.7 45.3 1.0 O B:HOH712 3.1 29.3 1.0 CD B:GLU377 3.3 77.0 1.0 OE2 B:GLU377 3.3 78.4 1.0 NZ A:LYS74 3.5 71.0 1.0 O A:HOH723 3.7 39.8 1.0 ZN A:ZN602 4.5 70.6 1.0 CG B:GLU377 4.7 74.5 1.0 NZ B:LYS380 4.8 78.7 1.0 CE A:LYS74 4.8 65.3 1.0 CD B:LYS380 4.9 69.9 1.0

Zinc binding site 7 out of 7 in the The Bacillus Anthracis Tie Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of The Bacillus Anthracis Tie Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn603 b:48.8 occ:1.00 OE1 B:GLU112 1.8 36.5 1.0 OE2 A:GLU513 2.2 49.2 1.0 ND1 B:HIS115 2.2 39.5 1.0 CD B:GLU112 2.7 41.2 1.0 CD A:GLU513 3.0 48.8 1.0 OE2 B:GLU112 3.0 43.4 1.0 CE1 B:HIS115 3.0 39.2 1.0 OE1 A:GLU513 3.1 46.9 1.0 CG B:HIS115 3.3 36.9 1.0 O B:HOH707 3.7 35.3 1.0 CB B:HIS115 3.7 35.5 1.0 CG B:GLU112 4.1 43.2 1.0 NE2 B:HIS115 4.2 36.8 1.0 CD2 B:HIS115 4.4 37.4 1.0 CG A:GLU513 4.4 50.8 1.0 CB B:ALA109 4.5 48.9 1.0 NZ B:LYS119 4.6 54.8 1.0 CA B:GLU112 4.9 42.2 1.0 N A:ASN514 4.9 49.3 1.0 CB B:GLU112 4.9 43.2 1.0

O.K.Miller, M.J.Banfield, U.Schwarz-Linek. A New Structural Class of Bacterial Thioester Domains Reveals A Slipknot Topology. Protein Sci. V. 27 1651 2018.
ISSN: ESSN 1469-896X
PubMed: 30052296
DOI: 10.1002/PRO.3478