Zinc in PDB 3nwi: The Soluble Domain Structure of the Zntb ZN2+ Efflux System

The structure of The Soluble Domain Structure of the Zntb ZN2+ Efflux System, PDB code: 3nwi was solved by Q.Wan, C.Dealwis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.57 / 3.13
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	173.570, 101.944, 90.288, 90.00, 110.42, 90.00
R / Rfree (%)	21.3 / 26.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Zinc atom in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System (pdb code 3nwi). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 15 binding sites of Zinc where determined in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System, PDB code: 3nwi:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 15 in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Soluble Domain Structure of the Zntb ZN2+ Efflux System within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1 b:0.7 occ:1.00 ND1 A:HIS168 2.7 83.7 1.0 SG A:CYS246 3.0 0.3 1.0 NH2 A:ARG249 3.3 0.2 1.0 CE1 A:HIS168 3.6 94.0 1.0 N A:CYS246 3.6 71.1 1.0 CA A:CYS246 3.7 62.6 1.0 CG A:HIS168 3.7 0.2 1.0 CB A:CYS246 3.8 66.3 1.0 CZ A:ARG249 3.9 0.3 1.0 O A:GLU242 3.9 0.9 1.0 CB A:HIS168 4.0 93.8 1.0 NE A:ARG249 4.0 0.7 1.0 CB A:ALA245 4.4 68.8 1.0 CA A:HIS168 4.5 70.2 1.0 C A:ALA245 4.5 94.6 1.0 NE2 A:HIS168 4.7 0.1 1.0 CD2 A:HIS168 4.8 0.9 1.0 NH1 A:ARG249 4.8 0.1 1.0 CG2 A:ILE171 4.9 56.6 1.0 C A:GLU242 5.0 85.7 1.0

Zinc binding site 2 out of 15 in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Soluble Domain Structure of the Zntb ZN2+ Efflux System within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn265 b:0.7 occ:1.00 SG B:CYS246 2.5 0.7 1.0 ND1 B:HIS168 2.7 80.5 1.0 CB B:CYS246 3.4 73.7 1.0 CA B:CYS246 3.5 67.2 1.0 CG B:HIS168 3.5 0.6 1.0 N B:CYS246 3.6 65.5 1.0 CB B:HIS168 3.6 82.5 1.0 CE1 B:HIS168 3.7 95.5 1.0 NH2 B:ARG249 3.7 0.4 1.0 O B:GLU242 3.9 0.3 1.0 CA B:HIS168 4.1 72.6 1.0 CZ B:ARG249 4.2 1.0 1.0 NE B:ARG249 4.2 0.3 1.0 C B:ALA245 4.6 96.5 1.0 CG2 B:ILE171 4.6 55.3 1.0 CB B:ALA245 4.7 73.4 1.0 CD2 B:HIS168 4.7 0.4 1.0 NE2 B:HIS168 4.8 0.1 1.0 C B:CYS246 5.0 91.4 1.0 C B:GLU242 5.0 85.6 1.0 N B:HIS168 5.0 77.7 1.0

Zinc binding site 3 out of 15 in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Soluble Domain Structure of the Zntb ZN2+ Efflux System within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn265 b:0.2 occ:1.00 SG C:CYS246 2.3 0.3 1.0 ND1 C:HIS168 2.9 80.9 1.0 CB C:CYS246 3.2 63.3 1.0 CA C:CYS246 3.3 56.6 1.0 N C:CYS246 3.3 62.9 1.0 O C:GLU242 3.6 0.7 1.0 NH2 C:ARG249 3.7 0.6 1.0 CG C:HIS168 3.8 0.8 1.0 CB C:HIS168 3.8 85.1 1.0 CE1 C:HIS168 3.9 99.2 1.0 CA C:HIS168 4.2 64.2 1.0 CZ C:ARG249 4.3 0.1 1.0 NE C:ARG249 4.3 0.4 1.0 C C:ALA245 4.4 87.6 1.0 CB C:ALA245 4.5 65.2 1.0 C C:GLU242 4.7 86.7 1.0 CG2 C:ILE171 4.8 47.0 1.0 C C:CYS246 4.8 67.9 1.0 CD2 C:HIS168 5.0 0.3 1.0

Zinc binding site 4 out of 15 in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Soluble Domain Structure of the Zntb ZN2+ Efflux System within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn265 b:0.3 occ:1.00 SG D:CYS246 2.6 0.1 1.0 ND1 D:HIS168 2.8 64.4 1.0 CB D:CYS246 3.5 67.4 1.0 CA D:CYS246 3.5 60.4 1.0 N D:CYS246 3.5 71.3 1.0 NH2 D:ARG249 3.6 0.2 1.0 CG D:HIS168 3.7 91.0 1.0 CE1 D:HIS168 3.7 88.2 1.0 O D:GLU242 3.8 0.2 1.0 CB D:HIS168 3.8 83.8 1.0 CZ D:ARG249 4.1 0.1 1.0 NE D:ARG249 4.2 0.3 1.0 CA D:HIS168 4.3 70.4 1.0 C D:ALA245 4.5 97.0 1.0 CB D:ALA245 4.6 50.6 1.0 CG2 D:ILE171 4.8 54.5 1.0 NE2 D:HIS168 4.8 0.3 1.0 CD2 D:HIS168 4.8 97.6 1.0 C D:GLU242 4.9 89.2 1.0 C D:CYS246 5.0 81.2 1.0

Zinc binding site 5 out of 15 in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of The Soluble Domain Structure of the Zntb ZN2+ Efflux System within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn265 b:0.6 occ:1.00 SG E:CYS246 2.4 0.1 1.0 CB E:CYS246 3.1 68.2 1.0 CA E:CYS246 3.1 53.2 1.0 ND1 E:HIS168 3.1 78.1 1.0 N E:CYS246 3.2 79.1 1.0 O E:GLU242 3.6 98.2 1.0 NH2 E:ARG249 3.7 0.2 1.0 CG E:HIS168 4.0 0.5 1.0 CB E:HIS168 4.0 91.3 1.0 CE1 E:HIS168 4.1 98.8 1.0 C E:ALA245 4.2 93.5 1.0 NE E:ARG249 4.2 0.7 1.0 CZ E:ARG249 4.3 0.9 1.0 CA E:HIS168 4.3 70.6 1.0 CB E:ALA245 4.4 67.3 1.0 C E:CYS246 4.6 61.4 1.0 C E:GLU242 4.7 84.0 1.0 CG2 E:ILE171 4.8 53.9 1.0 O E:ALA245 4.9 79.4 1.0 CA E:ALA245 4.9 78.4 1.0

Zinc binding site 6 out of 15 in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of The Soluble Domain Structure of the Zntb ZN2+ Efflux System within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn265 b:0.8 occ:1.00 ND1 A:HIS159 2.5 0.3 1.0 SG A:CYS94 2.6 92.7 1.0 CB A:CYS94 3.1 0.3 1.0 CE1 A:HIS159 3.3 0.1 1.0 CG A:HIS159 3.5 95.7 1.0 CB A:ALA128 3.8 84.7 1.0 CB A:HIS159 3.8 63.3 1.0 N A:ALA128 3.9 0.1 1.0 CD2 A:LEU156 4.0 53.8 1.0 N A:ILE95 4.3 0.6 1.0 CA A:ALA128 4.3 92.9 1.0 CG1 A:VAL126 4.4 0.8 1.0 NE2 A:HIS159 4.4 96.5 1.0 N A:LEU127 4.5 0.4 1.0 CD2 A:HIS159 4.5 92.7 1.0 CA A:CYS94 4.5 94.5 1.0 CB A:LEU127 4.7 38.0 1.0 CA A:LEU156 4.8 66.2 1.0 C A:LEU127 4.8 0.5 1.0 CA A:LEU127 4.9 0.5 1.0 C A:CYS94 5.0 0.5 1.0

Zinc binding site 7 out of 15 in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of The Soluble Domain Structure of the Zntb ZN2+ Efflux System within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn266 b:0.6 occ:1.00 SG B:CYS94 2.6 71.4 1.0 ND1 B:HIS159 2.9 90.9 1.0 CB B:CYS94 2.9 96.1 1.0 CE1 B:HIS159 3.6 0.3 1.0 N B:ALA128 3.8 1.0 1.0 CB B:ALA128 3.9 99.5 1.0 CG1 B:VAL126 3.9 0.1 1.0 CG B:HIS159 4.0 84.3 1.0 CD2 B:LEU156 4.0 54.9 1.0 N B:ILE95 4.2 0.5 1.0 N B:LEU127 4.2 0.6 1.0 CB B:HIS159 4.4 72.3 1.0 CA B:CYS94 4.4 90.8 1.0 CA B:ALA128 4.4 98.8 1.0 CB B:LEU127 4.6 35.7 1.0 CG1 B:VAL107 4.7 76.5 1.0 CA B:LEU127 4.7 0.5 1.0 C B:LEU127 4.7 0.4 1.0 C B:VAL126 4.7 0.5 1.0 C B:CYS94 4.8 0.3 1.0 NE2 B:HIS159 4.8 99.9 1.0 CA B:VAL126 5.0 0.4 1.0 C B:ILE95 5.0 85.8 1.0

Zinc binding site 8 out of 15 in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of The Soluble Domain Structure of the Zntb ZN2+ Efflux System within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn266 b:0.3 occ:1.00 SG C:CYS94 2.4 82.8 1.0 ND1 C:HIS159 2.7 98.6 1.0 CB C:CYS94 3.0 0.4 1.0 CE1 C:HIS159 3.5 0.3 1.0 CG C:HIS159 3.7 87.9 1.0 CB C:HIS159 4.0 66.3 1.0 CB C:ALA128 4.0 90.0 1.0 N C:ALA128 4.0 0.3 1.0 N C:ILE95 4.1 0.9 1.0 CD2 C:LEU156 4.1 62.5 1.0 CG1 C:VAL126 4.3 0.5 1.0 CA C:CYS94 4.4 92.8 1.0 N C:LEU127 4.5 0.6 1.0 CA C:ALA128 4.5 93.0 1.0 NE2 C:HIS159 4.6 92.1 1.0 CD2 C:HIS159 4.7 89.1 1.0 CB C:LEU127 4.7 30.4 1.0 C C:CYS94 4.8 96.1 1.0 C C:LEU127 4.9 0.2 1.0 C C:ILE95 4.9 90.2 1.0 CA C:LEU127 4.9 0.0 1.0 CA C:LEU156 5.0 66.6 1.0 CG1 C:VAL107 5.0 78.2 1.0

Zinc binding site 9 out of 15 in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of The Soluble Domain Structure of the Zntb ZN2+ Efflux System within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn266 b:96.0 occ:1.00 SG D:CYS94 2.5 80.1 1.0 ND1 D:HIS159 2.5 0.9 1.0 CB D:CYS94 3.0 97.4 1.0 CE1 D:HIS159 3.4 0.0 1.0 CG D:HIS159 3.5 96.3 1.0 CB D:HIS159 3.9 60.1 1.0 CB D:ALA128 4.0 91.1 1.0 N D:ALA128 4.0 0.2 1.0 N D:ILE95 4.1 0.3 1.0 CD2 D:LEU156 4.2 48.7 1.0 CG1 D:VAL126 4.4 0.9 1.0 N D:LEU127 4.5 0.1 1.0 CA D:CYS94 4.5 92.2 1.0 NE2 D:HIS159 4.5 91.6 1.0 CA D:ALA128 4.5 0.1 1.0 CD2 D:HIS159 4.6 99.0 1.0 CB D:LEU127 4.7 26.8 1.0 C D:LEU127 4.8 0.8 1.0 C D:CYS94 4.8 96.8 1.0 CA D:LEU127 4.9 0.1 1.0 C D:ILE95 4.9 81.8 1.0 CA D:LEU156 5.0 55.3 1.0

Zinc binding site 10 out of 15 in the The Soluble Domain Structure of the Zntb ZN2+ Efflux System


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of The Soluble Domain Structure of the Zntb ZN2+ Efflux System within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn266 b:0.1 occ:1.00 ND1 E:HIS159 2.6 92.0 1.0 SG E:CYS94 2.6 79.1 1.0 CB E:CYS94 3.1 0.4 1.0 CE1 E:HIS159 3.3 94.3 1.0 CG E:HIS159 3.6 88.5 1.0 N E:ALA128 3.8 0.3 1.0 CB E:ALA128 3.9 95.3 1.0 CB E:HIS159 4.0 62.3 1.0 CD2 E:LEU156 4.2 45.4 1.0 N E:LEU127 4.2 0.1 1.0 N E:ILE95 4.3 0.7 1.0 CG1 E:VAL126 4.3 0.9 1.0 CA E:ALA128 4.4 99.8 1.0 CB E:LEU127 4.5 34.7 1.0 NE2 E:HIS159 4.5 89.3 1.0 CA E:CYS94 4.6 95.0 1.0 C E:LEU127 4.6 0.4 1.0 CA E:LEU127 4.6 0.7 1.0 CD2 E:HIS159 4.7 90.0 1.0 C E:VAL126 4.8 0.7 1.0 C E:ILE95 5.0 80.9 1.0 C E:CYS94 5.0 99.6 1.0 CG1 E:VAL107 5.0 68.6 1.0

Q.Wan, B.Gorzelle, J.W.Fairman, M.Fuente, F.Homammed, C.Dealwis, M.Maguire. The Soluble Domain Structure of the Zntb ZN2+ Efflux System To Be Published.