Zinc in PDB 1ruq: Crystal Structure (H) of U.V.-Irradiated Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected in House.

The structure of Crystal Structure (H) of U.V.-Irradiated Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected in House., PDB code: 1ruq was solved by X.Zhu, P.Wentworth Jr., A.D.Wentworth, A.Eschenmoser, R.A.Lerner, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.86
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	179.929, 40.451, 67.970, 90.00, 109.97, 90.00
R / Rfree (%)	21.9 / 25.6

The binding sites of Zinc atom in the Crystal Structure (H) of U.V.-Irradiated Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected in House. (pdb code 1ruq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure (H) of U.V.-Irradiated Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected in House., PDB code: 1ruq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure (H) of U.V.-Irradiated Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected in House.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure (H) of U.V.-Irradiated Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected in House. within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn601 b:35.9 occ:1.00 NE2 L:HIS189 2.2 34.4 1.0 OE2 L:GLU185 2.3 29.6 1.0 CD2 L:HIS189 3.1 32.4 1.0 CD L:GLU185 3.1 29.4 1.0 CE1 L:HIS189 3.2 33.4 1.0 OE1 L:GLU185 3.3 26.8 1.0 CG L:HIS189 4.3 32.7 1.0 ND1 L:HIS189 4.3 32.6 1.0 CG L:GLU185 4.5 27.3 1.0 NH1 L:ARG155 4.7 40.1 1.0 O L:HOH788 4.7 55.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure (H) of U.V.-Irradiated Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected in House.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure (H) of U.V.-Irradiated Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected in House. within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn602 b:69.0 occ:1.00 NE2 H:HIS172 2.1 32.6 1.0 OD1 L:ASN138 2.2 32.7 1.0 ND2 L:ASN138 2.4 34.7 1.0 O L:HOH644 2.5 48.6 1.0 O L:HOH769 2.6 47.4 1.0 CG L:ASN138 2.6 29.7 1.0 CE1 H:HIS172 3.0 30.8 1.0 CD2 H:HIS172 3.2 28.4 1.0 O L:HOH743 3.8 54.0 1.0 ND1 H:HIS172 4.1 30.4 1.0 CB L:ASN138 4.1 28.5 1.0 OD2 L:ASP170 4.2 32.3 1.0 CG H:HIS172 4.3 28.7 1.0 O L:HOH610 4.3 24.5 1.0 O H:HOH297 4.5 40.6 1.0 OG L:SER174 4.6 24.9 1.0 N L:ASN138 4.8 24.5 1.0 CA L:ASN138 4.9 27.0 1.0 OG1 L:THR172 5.0 24.2 1.0

X.Zhu, P.Wentworth Jr., A.D.Wentworth, A.Eschenmoser, R.A.Lerner, I.A.Wilson. Probing the Antibody-Catalyzed Water-Oxidation Pathway at Atomic Resolution. Proc.Natl.Acad.Sci.Usa V. 110 2247 2004.
ISSN: ISSN 0027-8424
PubMed: 14982995
DOI: 10.1073/PNAS.0307311101