Zinc in PDB 4nj9: Crystal Structure of Fab 8B10 in Complex with Mpts

The structure of Crystal Structure of Fab 8B10 in Complex with Mpts, PDB code: 4nj9 was solved by R.L.Stanfield, F.E.Romesberg, J.Zimmermann, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.90 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.133, 58.441, 212.852, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 26.4

The binding sites of Zinc atom in the Crystal Structure of Fab 8B10 in Complex with Mpts (pdb code 4nj9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of Fab 8B10 in Complex with Mpts, PDB code: 4nj9:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Crystal Structure of Fab 8B10 in Complex with Mpts


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 Fab 8B10 in Complex with Mpts within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn301 b:40.0 occ:0.70 NE2 L:HIS189 2.0 49.0 1.0 O L:HOH534 2.0 42.9 1.0 O L:HOH533 2.1 40.8 1.0 O L:HOH532 2.1 43.1 1.0 OE1 L:GLU185 2.1 50.7 1.0 OE2 L:GLU185 2.1 51.4 1.0 CD L:GLU185 2.5 46.4 1.0 CE1 L:HIS189 2.9 49.5 1.0 CD2 L:HIS189 3.1 43.4 1.0 CG L:GLU185 4.0 43.9 1.0 ND1 L:HIS189 4.1 47.0 1.0 CG L:HIS189 4.2 44.2 1.0 CD L:ARG188 4.4 54.6 1.0 CB L:ARG188 4.6 47.6 1.0 O L:GLU185 4.8 37.6 1.0 CB L:GLU185 5.0 41.6 1.0

Zinc binding site 2 out of 6 in the Crystal Structure of Fab 8B10 in Complex with Mpts


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 Fab 8B10 in Complex with Mpts within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn302 b:32.5 occ:0.70 OE2 L:GLU93 2.0 45.8 1.0 OE1 L:GLU27 2.0 45.3 1.0 OE2 L:GLU27 2.3 50.7 1.0 OE1 L:GLU93 2.5 39.0 1.0 CD L:GLU27 2.5 45.7 1.0 CD L:GLU93 2.6 38.7 1.0 O L:HOH477 3.7 31.6 1.0 CG L:GLU93 4.0 35.1 1.0 CG L:GLU27 4.0 42.8 1.0 O L:HOH513 4.8 40.1 1.0 CD1 L:ILE2 4.9 36.4 1.0 O L:SER27A 5.0 32.8 1.0

Zinc binding site 3 out of 6 in the Crystal Structure of Fab 8B10 in Complex with Mpts


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 Fab 8B10 in Complex with Mpts within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn303 b:49.4 occ:0.70 OE2 L:GLU213 2.1 78.8 1.0 CD L:GLU213 3.2 79.8 1.0 CG L:GLU213 3.8 73.2 1.0 OE1 L:GLU213 4.3 85.2 1.0

Zinc binding site 4 out of 6 in the Crystal Structure of Fab 8B10 in Complex with Mpts


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 Fab 8B10 in Complex with Mpts within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn304 b:35.0 occ:0.70 N L:ASP1 2.0 42.0 1.0 O L:HOH535 2.1 40.3 1.0 O L:ASP1 2.3 36.7 1.0 C L:ASP1 2.7 35.0 1.0 CA L:ASP1 2.8 38.3 1.0 N L:ILE2 4.0 33.0 1.0 CB L:ASP1 4.1 41.1 1.0 CA L:ILE2 4.7 32.6 1.0 CG2 L:VAL3 5.0 40.5 1.0

Zinc binding site 5 out of 6 in the Crystal Structure of Fab 8B10 in Complex with Mpts


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 Fab 8B10 in Complex with Mpts within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn305 b:52.9 occ:0.50 OD2 L:ASP151 1.9 46.4 1.0 ND1 L:HIS189 2.2 47.0 1.0 CE1 L:HIS189 3.0 49.5 1.0 CG L:ASP151 3.1 44.9 1.0 CG L:HIS189 3.2 44.2 1.0 CB L:ASP151 3.7 45.5 1.0 CB L:HIS189 3.7 41.0 1.0 CA L:HIS189 3.8 42.5 1.0 O L:ARG188 3.9 44.7 1.0 OD1 L:ASP151 4.1 43.6 1.0 NE2 L:HIS189 4.2 49.0 1.0 CD2 L:HIS189 4.3 43.4 1.0 C L:ARG188 4.7 44.9 1.0 N L:HIS189 4.7 42.3 1.0 N L:ASN190 4.9 43.6 1.0 C L:HIS189 4.9 44.1 1.0

Zinc binding site 6 out of 6 in the Crystal Structure of Fab 8B10 in Complex with Mpts


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 Fab 8B10 in Complex with Mpts within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn502 b:40.4 occ:0.70 NE2 H:HIS167 2.0 42.1 1.0 O H:HOH708 2.0 37.4 1.0 OD1 L:ASN138 2.1 38.8 1.0 O L:HOH530 2.1 38.0 1.0 CE1 H:HIS167 2.9 44.1 1.0 CD2 H:HIS167 3.0 38.1 1.0 CG L:ASN138 3.2 36.9 1.0 ND2 L:ASN138 3.7 38.8 1.0 OG1 L:THR172 4.0 32.8 1.0 ND1 H:HIS167 4.1 40.5 1.0 OD1 L:ASP167 4.1 40.6 1.0 OG L:SER174 4.1 27.1 1.0 OD2 L:ASP170 4.1 43.3 1.0 CG H:HIS167 4.1 35.8 1.0 O L:HOH458 4.5 37.0 1.0 CB L:ASN138 4.5 34.0 1.0 CG L:ASP167 4.6 36.8 1.0 CA L:ASN138 4.8 32.7 1.0 OD1 L:ASP170 4.8 37.2 1.0 O L:HOH473 4.9 46.4 1.0 N L:ASN138 4.9 30.9 1.0 CB L:ASP167 4.9 34.8 1.0 CG L:ASP170 4.9 40.0 1.0

R.Adhikary, W.Yu, M.Oda, R.C.Walker, R.L.Stanfield, I.A.Wilson, J.Zimmermann, F.E.Romesberg. The Coevolution of Antibody Structure and Dynamics To Be Published.