Zinc in PDB 3nab: Crystal Structure of FAB15 MUT6

The structure of Crystal Structure of FAB15 MUT6, PDB code: 3nab was solved by J.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.94 / 2.32
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.618, 75.197, 67.226, 90.00, 108.93, 90.00
R / Rfree (%)	20.3 / 25.9

The binding sites of Zinc atom in the Crystal Structure of FAB15 MUT6 (pdb code 3nab). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of FAB15 MUT6, PDB code: 3nab:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of FAB15 MUT6


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 MUT6 within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn215 b:33.6 occ:1.00 OD2 L:ASP151 1.9 29.6 1.0 ND1 L:HIS189 2.2 30.0 1.0 OXT L:ACT217 2.2 28.2 1.0 CG L:ASP151 2.8 30.9 1.0 O L:ACT217 2.9 33.4 1.0 C L:ACT217 3.0 33.1 1.0 CG L:HIS189 3.1 21.1 1.0 CE1 L:HIS189 3.1 30.4 1.0 CB L:ASP151 3.3 28.0 1.0 CB L:HIS189 3.4 20.8 1.0 CA L:HIS189 3.6 24.4 1.0 OD1 L:ASP151 3.9 23.4 1.0 NE2 L:HIS189 4.3 29.0 1.0 O L:LYS188 4.3 32.2 1.0 CD2 L:HIS189 4.3 23.5 1.0 N L:HIS189 4.4 31.3 1.0 CH3 L:ACT217 4.5 38.0 1.0 C L:LYS188 4.6 35.2 1.0 CA L:ASP151 4.8 26.0 1.0 C L:HIS189 4.9 29.6 1.0 N L:LYS190 5.0 28.3 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of FAB15 MUT6


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 MUT6 within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn216 b:78.0 occ:1.00 NE2 H:HIS164 2.3 35.4 1.0 O H:HOH220 2.5 44.8 1.0 ND2 L:ASN138 2.7 40.4 1.0 O L:HOH279 2.7 37.4 1.0 OD1 L:ASN137 2.8 52.7 1.0 OD1 L:ASN138 2.8 64.6 1.0 CD2 H:HIS164 2.9 35.6 1.0 CG L:ASN138 3.1 50.2 1.0 ND2 L:ASN137 3.2 57.5 1.0 CG L:ASN137 3.3 49.2 1.0 CE1 H:HIS164 3.5 33.0 1.0 OG1 H:THR183 4.1 56.9 1.0 CG H:HIS164 4.2 33.4 1.0 OG L:SER174 4.3 28.6 1.0 ND1 H:HIS164 4.4 28.7 1.0 O H:GLY162 4.5 38.9 1.0 CB L:ASN138 4.5 42.3 1.0 N L:ASN138 4.6 39.8 1.0 O L:HOH276 4.6 27.2 1.0 CB L:ASN137 4.7 35.2 1.0 C H:GLY162 5.0 39.0 1.0 CA H:GLY162 5.0 36.1 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of FAB15 MUT6


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 MUT6 within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn215 b:0.8 occ:1.00 OD2 H:ASP54 2.3 0.6 1.0 OD1 H:ASP52 3.0 0.8 1.0 CG H:ASP54 3.1 1.0 1.0 OD1 H:ASP54 3.1 0.3 1.0 CG H:ASP52 3.8 0.0 1.0 CB H:ASP52 4.1 94.3 1.0 CB H:ASP54 4.5 0.5 1.0 CB H:TYR56 4.5 1.0 1.0 CZ2 H:TRP33 4.6 95.9 1.0 OG H:SER53 4.7 0.4 1.0 OD2 H:ASP52 4.7 0.8 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of FAB15 MUT6


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 MUT6 within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn216 b:1.0 occ:1.00 CE1 H:HIS66 2.4 0.6 1.0 NE2 H:HIS66 3.1 0.4 1.0 ND1 H:HIS66 3.5 0.9 1.0 O H:SER62 3.7 78.7 1.0 O H:PRO61 4.0 92.1 1.0 O H:GLN64 4.3 84.1 1.0 CD2 H:HIS66 4.4 0.3 1.0 C H:SER62 4.6 75.9 1.0 CG H:HIS66 4.6 0.0 1.0 CA H:SER62 4.8 77.8 1.0

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