Zinc in PDB 3nac: Crystal Structure of FAB15 MUT7

The structure of Crystal Structure of FAB15 MUT7, PDB code: 3nac was solved by J.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.56 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.663, 74.437, 65.764, 90.00, 104.25, 90.00
R / Rfree (%)	18.4 / 21.2

The binding sites of Zinc atom in the Crystal Structure of FAB15 MUT7 (pdb code 3nac). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the Crystal Structure of FAB15 MUT7, PDB code: 3nac:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7;

Zinc binding site 1 out of 7 in the Crystal Structure of FAB15 MUT7


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 FAB15 MUT7 within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn215 b:26.6 occ:1.00 OD1 L:ASP151 1.9 19.4 1.0 OXT L:ACT217 2.1 26.6 1.0 ND1 L:HIS189 2.1 27.7 1.0 O L:ACT217 2.7 33.4 1.0 C L:ACT217 2.8 26.1 1.0 CG L:ASP151 2.9 28.0 1.0 CE1 L:HIS189 3.0 31.3 1.0 CG L:HIS189 3.3 26.6 1.0 CB L:ASP151 3.3 26.5 1.0 CB L:HIS189 3.7 20.2 1.0 CA L:HIS189 3.8 25.0 1.0 OD2 L:ASP151 4.0 24.6 1.0 NE2 L:HIS189 4.1 28.1 1.0 O L:LYS188 4.2 25.2 1.0 CH3 L:ACT217 4.3 32.6 1.0 CD2 L:HIS189 4.3 25.7 1.0 N L:HIS189 4.5 20.5 1.0 C L:LYS188 4.6 23.0 1.0 CA L:ASP151 4.8 22.3 1.0 N L:LYS190 5.0 27.1 1.0 C L:HIS189 5.0 28.3 1.0

Zinc binding site 2 out of 7 in the Crystal Structure of FAB15 MUT7


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 FAB15 MUT7 within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn216 b:40.1 occ:1.00 O H:HOH419 2.2 27.9 1.0 NE2 H:HIS164 2.3 32.0 1.0 OD1 L:ASN137 2.3 35.3 1.0 OD1 L:ASN138 2.3 26.4 1.0 O H:HOH286 2.4 43.5 1.0 O H:HOH292 2.8 46.3 1.0 CD2 H:HIS164 2.8 27.1 1.0 CG L:ASN137 3.0 31.8 1.0 ND2 L:ASN137 3.1 34.3 1.0 CG L:ASN138 3.3 30.7 1.0 CE1 H:HIS164 3.5 28.3 1.0 ND2 L:ASN138 3.8 36.4 1.0 O L:HOH423 4.0 46.1 1.0 CG H:HIS164 4.1 27.5 1.0 OG L:SER174 4.2 20.2 1.0 O H:GLY162 4.2 27.7 1.0 OG1 H:THR183 4.3 36.9 1.0 ND1 H:HIS164 4.4 25.7 1.0 CB L:ASN137 4.4 27.0 1.0 CB L:ASN138 4.5 25.6 1.0 N L:ASN138 4.6 20.9 1.0 CG2 H:THR183 4.8 33.9 1.0 C H:GLY162 4.9 29.3 1.0 CA L:ASN137 4.9 22.9 1.0 CA H:GLY162 4.9 29.3 1.0 C L:ASN137 5.0 19.1 1.0 O L:HOH356 5.0 20.7 1.0

Zinc binding site 3 out of 7 in the Crystal Structure of FAB15 MUT7


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 FAB15 MUT7 within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn218 b:31.3 occ:1.00 O L:CYS214 2.0 32.4 1.0 O H:HOH236 2.0 36.2 1.0 NE2 H:HIS213 2.1 27.9 1.0 ND1 H:HIS215 2.1 33.8 1.0 C L:CYS214 2.7 30.8 1.0 OXT L:CYS214 2.7 31.8 1.0 CE1 H:HIS215 2.9 30.8 1.0 CE1 H:HIS213 3.1 31.8 1.0 CD2 H:HIS213 3.1 31.7 1.0 CG H:HIS215 3.3 40.7 1.0 CA H:HIS215 3.5 36.2 1.0 ND1 H:HIS217 3.7 55.8 1.0 CB H:HIS215 3.7 37.2 1.0 O H:HOH391 3.8 48.7 1.0 N H:HIS216 4.1 40.8 1.0 NE2 H:HIS215 4.1 41.3 1.0 ND1 H:HIS213 4.2 28.4 1.0 CA L:CYS214 4.2 35.3 1.0 CG H:HIS213 4.2 25.3 1.0 OG H:SER128 4.2 34.8 0.4 CD2 H:HIS215 4.3 43.5 1.0 C H:HIS215 4.3 40.9 1.0 CG H:HIS217 4.4 51.6 1.0 O H:HIS214 4.5 39.4 1.0 CE1 H:HIS217 4.5 55.9 1.0 N H:HIS215 4.5 37.1 1.0 CB H:HIS217 4.5 50.0 1.0 N H:HIS217 4.6 43.8 1.0 SG L:CYS214 4.6 43.1 1.0 CB L:CYS214 4.7 38.1 1.0 OG H:SER128 4.7 43.9 0.6 C H:HIS214 4.8 39.9 1.0 O L:GLU213 4.9 44.1 1.0 N L:CYS214 4.9 32.3 1.0 N H:SER128 5.0 32.5 1.0

Zinc binding site 4 out of 7 in the Crystal Structure of FAB15 MUT7


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 FAB15 MUT7 within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn219 b:39.5 occ:1.00 NE2 H:HIS216 2.0 45.3 1.0 NE2 H:HIS214 2.1 32.2 1.0 CE1 H:HIS216 2.9 51.0 1.0 CD2 H:HIS214 3.0 31.8 1.0 CE1 H:HIS214 3.1 35.5 1.0 CD2 H:HIS216 3.1 47.7 1.0 ND1 H:HIS216 4.1 49.7 1.0 ND1 H:HIS214 4.2 32.7 1.0 CG H:HIS214 4.2 31.2 1.0 CG H:HIS216 4.2 50.3 1.0

Zinc binding site 5 out of 7 in the Crystal Structure of FAB15 MUT7


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 FAB15 MUT7 within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn220 b:62.8 occ:1.00 O H:HOH264 1.9 44.9 1.0 O H:HOH353 2.0 45.2 1.0 O H:HOH343 2.2 42.1 1.0 O H:HOH296 2.3 34.8 1.0 O L:HOH322 2.5 45.4 1.0 NE2 H:HIS217 2.6 57.1 1.0 CD2 H:HIS217 3.5 55.1 1.0 CE1 H:HIS217 3.6 55.9 1.0 O H:HOH391 4.7 48.7 1.0 CG H:HIS217 4.7 51.6 1.0 ND1 H:HIS217 4.7 55.8 1.0 O L:HOH342 4.8 41.6 1.0 CA L:GLY212 5.0 41.0 1.0

Zinc binding site 6 out of 7 in the Crystal Structure of FAB15 MUT7


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 FAB15 MUT7 within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn221 b:49.5 occ:1.00 ND1 H:HIS214 2.1 32.7 1.0 NE2 H:HIS212 2.2 37.2 1.0 O H:HOH414 2.3 44.6 1.0 O H:HOH310 2.5 52.7 1.0 CE1 H:HIS214 2.9 35.5 1.0 CD2 H:HIS212 3.1 41.7 1.0 CG H:HIS214 3.2 31.2 1.0 CE1 H:HIS212 3.3 42.6 1.0 CB H:HIS214 3.6 35.7 1.0 NE2 H:HIS214 4.1 32.2 1.0 CD2 H:HIS214 4.2 31.8 1.0 CA H:HIS214 4.2 39.1 1.0 CG H:HIS212 4.3 33.2 1.0 ND1 H:HIS212 4.3 36.7 1.0 NH2 H:ARG210 4.4 56.9 1.0 N H:HIS214 5.0 31.6 1.0

Zinc binding site 7 out of 7 in the Crystal Structure of FAB15 MUT7


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 FAB15 MUT7 within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn222 b:78.4 occ:1.00 NE2 H:HIS66 2.3 70.9 1.0 O H:HOH411 2.4 57.4 1.0 CE1 H:HIS66 3.1 73.1 1.0 CD2 H:HIS66 3.3 68.2 1.0 O H:SER62 3.9 54.8 1.0 ND1 H:HIS66 4.3 71.0 1.0 O H:GLN64 4.3 55.9 1.0 O H:PRO61 4.3 50.7 1.0 CG H:HIS66 4.4 65.5 1.0 C H:SER62 4.6 54.7 1.0

J.Luo, Y.Feng, G.L.Gilliland. Co-Evolution of Antibody Stability and Vk Cdr-L3 Canonical Structure To Be Published.