Zinc in PDB 8ad2: Tobacco Lectin Nictaba in Complex with Triacetylchitotriose

The structure of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose, PDB code: 8ad2 was solved by Y.Bloch, S.N.Savvides, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.22 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.66, 146.159, 81.908, 90, 95.87, 90
R / Rfree (%)	19.6 / 22.6

The structure of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Zinc atom in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose (pdb code 8ad2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 23 binding sites of Zinc where determined in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose, PDB code: 8ad2:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 23 in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:60.2 occ:1.00 NE2 A:HIS115 2.0 53.8 1.0 O A:HOH307 2.1 41.2 1.0 OE2 A:GLU123 2.1 33.5 1.0 O A:HOH383 2.4 39.7 1.0 O A:HOH373 2.5 33.4 1.0 CE1 A:HIS115 2.7 44.1 1.0 CD A:GLU123 3.0 35.3 1.0 CD2 A:HIS115 3.1 41.0 1.0 CG A:GLU123 3.2 32.7 1.0 CE2 A:TYR62 3.8 35.3 1.0 ND1 A:HIS115 3.9 47.8 1.0 NH2 A:ARG163 3.9 36.5 1.0 CD2 A:TYR62 4.0 32.6 1.0 CG A:HIS115 4.1 40.6 1.0 OE1 A:GLU123 4.2 32.9 1.0 CZ A:TYR62 4.6 37.0 1.0 CB A:GLU123 4.7 30.2 1.0 O A:GLU123 4.9 30.4 1.0 CG A:TYR62 5.0 32.8 1.0

Zinc binding site 2 out of 23 in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:37.8 occ:1.00 NE2 B:HIS115 2.0 33.8 1.0 NE2 H:HIS115 2.0 35.7 1.0 O B:HOH771 2.1 41.9 1.0 O B:HOH777 2.3 34.1 1.0 CE1 B:HIS115 2.9 32.2 1.0 CD2 H:HIS115 3.0 37.0 1.0 CE1 H:HIS115 3.0 36.8 1.0 CD2 B:HIS115 3.1 32.1 1.0 ND1 B:HIS115 4.0 33.0 1.0 O H:LEU116 4.1 33.5 1.0 ND1 H:HIS115 4.1 37.0 1.0 CG H:HIS115 4.1 36.5 1.0 O B:LEU116 4.1 33.7 1.0 CG B:HIS115 4.2 34.0 1.0 O H:HOH284 4.5 53.4 1.0 CA H:ARG117 4.6 35.6 1.0 CA B:ARG117 4.7 31.7 1.0 N B:SER118 4.9 36.5 1.0 C H:LEU116 5.0 36.9 1.0 C B:LEU116 5.0 32.4 1.0

Zinc binding site 3 out of 23 in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:43.6 occ:1.00 OE1 B:GLU49 2.0 38.7 1.0 OE2 B:GLU138 2.0 38.4 1.0 O C:HOH368 2.1 23.0 1.0 OD1 C:ASP10 2.1 34.2 1.0 CG C:ASP10 2.8 37.8 1.0 CD B:GLU138 2.8 43.0 1.0 OD2 C:ASP10 2.8 43.5 1.0 CD B:GLU49 2.9 34.6 1.0 NH1 C:ARG9 2.9 41.1 1.0 CG B:GLU138 3.2 32.6 1.0 CG B:GLU49 3.4 32.4 1.0 OE1 B:GLU138 3.9 39.6 1.0 CE B:LYS47 3.9 36.9 1.0 OE2 B:GLU49 3.9 33.1 1.0 NZ B:LYS47 4.1 38.8 1.0 CB C:ASP10 4.2 33.2 1.0 CZ C:ARG9 4.3 50.7 1.0 CB B:GLU138 4.4 31.7 1.0 CD B:LYS47 4.7 39.3 1.0 CB B:GLU49 4.8 34.5 1.0 CA C:ASP10 4.9 34.8 1.0 CG C:ARG9 4.9 40.8 1.0 CG B:LYS47 4.9 34.3 1.0 N B:GLU49 5.0 30.1 1.0

Zinc binding site 4 out of 23 in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn203 b:75.9 occ:1.00 O B:HOH765 2.4 43.9 1.0 O B:HOH739 2.5 39.8 1.0 O B:HOH779 2.5 48.6 1.0 OE2 B:GLU140 2.6 53.6 1.0 OE1 B:GLU140 2.7 40.1 1.0 CD B:GLU140 3.0 39.2 1.0 NH2 B:ARG82 3.4 42.9 1.0 CG2 B:VAL87 4.1 38.5 1.0 NE B:ARG82 4.1 41.6 1.0 CZ B:ARG82 4.1 43.3 1.0 CB B:VAL87 4.5 38.2 1.0 CG B:GLU140 4.5 31.8 1.0 CG1 B:VAL87 4.5 37.4 1.0 CG1 B:VAL84 4.6 38.5 1.0 CA B:VAL84 4.9 33.1 1.0 O B:VAL84 4.9 32.1 1.0 CG2 B:VAL84 5.0 33.6 1.0

Zinc binding site 5 out of 23 in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn204 b:103.9 occ:1.00 O B:HOH743 2.0 62.4 1.0 OE1 B:GLU73 2.6 55.0 1.0 CD B:GLU73 3.4 50.7 1.0 OE2 B:GLU73 3.5 48.2 1.0 O B:HOH757 4.4 50.4 1.0 OE2 B:GLU75 4.7 52.2 1.0 CG B:GLU73 4.8 45.7 1.0 CG2 B:THR150 4.9 49.2 1.0

Zinc binding site 6 out of 23 in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn205 b:94.3 occ:1.00 OD1 B:ASP136 2.4 40.2 1.0 O B:HOH785 2.5 56.7 1.0 OD2 B:ASP136 2.7 37.4 1.0 CG B:ASP136 2.9 39.4 1.0 O B:HOH734 3.8 43.3 1.0 O B:HOH761 3.9 34.9 1.0 ND2 B:ASN132 4.4 33.6 1.0 CB B:ASP136 4.4 33.6 1.0 CB B:ASN132 5.0 31.2 1.0

Zinc binding site 7 out of 23 in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn201 b:37.7 occ:1.00 NE2 E:HIS115 2.1 35.7 1.0 NE2 C:HIS115 2.1 36.7 1.0 O C:HOH370 2.5 43.1 1.0 O E:HOH372 2.7 40.6 1.0 CE1 E:HIS115 3.0 35.0 1.0 CE1 C:HIS115 3.1 32.9 1.0 CD2 E:HIS115 3.1 36.3 1.0 CD2 C:HIS115 3.1 35.2 1.0 ND1 E:HIS115 4.1 34.5 1.0 O C:LEU116 4.2 35.9 1.0 ND1 C:HIS115 4.2 35.6 1.0 CG E:HIS115 4.2 36.1 1.0 CG C:HIS115 4.2 35.9 1.0 O E:LEU116 4.3 32.4 1.0 CA C:ARG117 4.6 37.0 1.0 CA E:ARG117 4.7 36.4 1.0 N E:SER118 4.9 41.9 1.0 N C:SER118 4.9 37.8 1.0

Zinc binding site 8 out of 23 in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn202 b:39.0 occ:1.00 OE2 C:GLU49 1.9 33.5 1.0 OE2 C:GLU138 2.0 42.5 1.0 O C:HOH367 2.0 21.3 1.0 OD1 B:ASP10 2.1 36.8 1.0 CG B:ASP10 2.8 35.1 1.0 CD C:GLU49 2.8 33.8 1.0 OD2 B:ASP10 2.9 34.9 1.0 CD C:GLU138 2.9 36.8 1.0 CG C:GLU138 3.2 32.6 1.0 CG C:GLU49 3.2 33.1 1.0 NZ C:LYS47 3.9 38.0 1.0 OE1 C:GLU49 3.9 34.7 1.0 OE1 C:GLU138 4.0 42.7 1.0 CE C:LYS47 4.1 38.7 1.0 CB B:ASP10 4.2 34.8 1.0 CB C:GLU138 4.5 34.0 1.0 CB C:GLU49 4.6 34.0 1.0 CA B:ASP10 4.7 35.8 1.0 CD C:LYS47 4.8 41.7 1.0 N C:GLU49 4.9 27.0 1.0 CA C:GLU49 5.0 32.8 1.0 N B:ASP10 5.0 37.0 1.0

Zinc binding site 9 out of 23 in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn203 b:57.5 occ:1.00 OE1 C:GLU140 2.6 40.6 1.0 OE2 C:GLU140 2.6 50.8 1.0 O C:HOH365 2.6 45.7 1.0 CD C:GLU140 2.9 42.8 1.0 NH2 C:ARG82 3.4 43.7 1.0 CG2 C:VAL87 4.0 38.7 1.0 NE C:ARG82 4.2 45.1 1.0 CZ C:ARG82 4.2 50.7 1.0 O C:HOH333 4.2 42.6 1.0 CG C:GLU140 4.4 36.2 1.0 CB C:VAL87 4.6 38.9 1.0 CG1 C:VAL87 4.7 44.4 1.0 CA C:VAL84 4.8 32.8 1.0 O C:VAL84 4.8 31.6 1.0 CG1 C:VAL84 4.8 34.0 1.0 CG2 C:VAL84 4.9 30.8 1.0

Zinc binding site 10 out of 23 in the Tobacco Lectin Nictaba in Complex with Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Tobacco Lectin Nictaba in Complex with Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn204 b:81.8 occ:1.00 O E:HOH329 1.9 38.3 1.0 O C:HOH329 2.0 40.2 1.0 O E:HOH360 2.6 42.7 1.0 O C:PRO164 3.3 28.0 1.0 O E:PRO164 3.4 28.0 1.0 NE C:ARG163 4.0 40.1 1.0 NE E:ARG163 4.0 34.4 1.0 O C:ASN165 4.5 45.2 1.0 C C:PRO164 4.6 33.2 1.0 C E:PRO164 4.6 35.4 1.0 OXT E:ASN165 4.6 45.0 1.0 CD C:ARG163 4.7 37.8 1.0 NH2 E:ARG163 4.7 37.4 1.0 C C:ASN165 4.7 39.5 1.0 CD E:ARG163 4.8 34.3 1.0 C E:ASN165 4.8 43.7 1.0 CZ E:ARG163 4.9 33.8 1.0 NH2 C:ARG163 4.9 36.9 1.0 CZ C:ARG163 4.9 36.9 1.0 CB C:ARG163 5.0 34.0 1.0 CB E:ARG163 5.0 30.2 1.0

Y.Bloch, S.N.Savvides. Tobacco Lectin Nictaba in Complex with Triacetylchitotriose (Casp Target) To Be Published.