Zinc in PDB 1rur: Crystal Structure (I) of Native Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected at Ssrl Beamline 9-1.

The structure of Crystal Structure (I) of Native Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected at Ssrl Beamline 9-1., PDB code: 1rur 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 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	179.275, 40.310, 67.631, 90.00, 109.91, 90.00
R / Rfree (%)	19.1 / 25.6

The binding sites of Zinc atom in the Crystal Structure (I) of Native Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected at Ssrl Beamline 9-1. (pdb code 1rur). 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 (I) of Native Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected at Ssrl Beamline 9-1., PDB code: 1rur:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure (I) of Native Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected at Ssrl Beamline 9-1.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure (I) of Native Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected at Ssrl Beamline 9-1. within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn601 b:27.7 occ:1.00 OE2 L:GLU185 2.0 32.6 1.0 NE2 L:HIS189 2.1 24.5 1.0 O L:HOH613 2.3 18.1 1.0 O L:HOH623 2.4 26.2 1.0 CD L:GLU185 2.8 36.4 1.0 CE1 L:HIS189 3.1 21.8 1.0 CD2 L:HIS189 3.1 24.7 1.0 OE1 L:GLU185 3.2 49.4 1.0 CG L:GLU185 4.0 32.0 1.0 ND1 L:HIS189 4.2 23.2 1.0 CG L:HIS189 4.2 24.5 1.0 O L:GLU185 4.9 22.7 1.0 CB L:GLU185 5.0 29.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure (I) of Native Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected at Ssrl Beamline 9-1.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure (I) of Native Diels-Alder Antibody 13G5 Fab at pH 8.0 with A Data Set Collected at Ssrl Beamline 9-1. within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn602 b:52.3 occ:1.00 NE2 H:HIS172 1.8 24.0 1.0 O L:HOH705 1.9 56.2 1.0 ND2 L:ASN138 2.1 31.2 1.0 OD1 L:ASN138 2.4 29.8 1.0 CE1 H:HIS172 2.5 22.7 1.0 CG L:ASN138 2.6 26.8 1.0 O L:HOH765 2.8 32.1 1.0 CD2 H:HIS172 3.0 24.2 1.0 ND1 H:HIS172 3.7 24.5 1.0 O L:HOH608 3.9 16.6 1.0 CG H:HIS172 4.0 21.3 1.0 CB L:ASN138 4.1 20.5 1.0 OG L:SER174 4.3 17.8 1.0 OD2 L:ASP170 4.3 34.0 1.0 N L:ASN138 4.7 17.7 1.0 CA L:ASN138 4.7 15.7 1.0 OG1 L:THR172 4.8 19.9 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