Zinc in PDB 3iet: Crystal Structure of 237MAB with Antigen

The structure of Crystal Structure of 237MAB with Antigen, PDB code: 3iet was solved by C.L.Brooks, S.V.Evans, S.N.Borisova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.86 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	277.910, 38.240, 95.910, 90.00, 108.99, 90.00
R / Rfree (%)	22.7 / 27.1

The binding sites of Zinc atom in the Crystal Structure of 237MAB with Antigen (pdb code 3iet). 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 237MAB with Antigen, PDB code: 3iet:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of 237MAB with Antigen


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 237MAB with Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn215 b:46.5 occ:1.00 NE2 A:HIS189 2.1 36.5 1.0 O A:HOH313 2.2 34.2 1.0 OE1 A:GLU185 2.4 40.5 1.0 OE2 A:GLU185 2.5 43.1 1.0 CD A:GLU185 2.8 44.0 1.0 O A:HOH281 2.9 40.5 1.0 CE1 A:HIS189 3.0 38.2 1.0 CD2 A:HIS189 3.2 36.3 1.0 NH1 A:ARG155 3.7 42.0 1.0 ND1 A:HIS189 4.2 38.7 1.0 CG A:GLU185 4.3 31.8 1.0 CG A:HIS189 4.3 34.2 1.0 NE A:ARG188 4.3 48.8 1.0 O A:GLU185 4.7 39.9 1.0 CB A:ARG188 4.8 39.8 1.0 CZ A:ARG155 4.8 49.7 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of 237MAB with Antigen


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 237MAB with Antigen within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn216 b:31.5 occ:1.00 ND1 B:HIS55 2.1 23.7 1.0 O B:HOH311 2.2 25.7 1.0 O B:HOH309 3.0 22.6 1.0 CG B:HIS55 3.1 24.5 1.0 CE1 B:HIS55 3.1 27.1 1.0 CB B:HIS55 3.3 22.6 1.0 CD2 B:HIS55 4.2 26.6 1.0 NE2 B:HIS55 4.2 27.0 1.0 O B:ARG71 4.4 25.8 1.0 CG B:ARG71 4.7 25.7 1.0 CA B:HIS55 4.8 28.5 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of 237MAB with Antigen


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 237MAB with Antigen within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn218 b:33.0 occ:0.34 OE2 C:GLU123 3.2 53.7 1.0 OE1 C:GLU123 3.2 33.6 1.0 CD C:GLU123 3.6 42.3 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of 237MAB with Antigen


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 237MAB with Antigen within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn214 b:41.0 occ:1.00 ND1 D:HIS55 2.0 31.1 1.0 OD1 A:ASP143 2.1 34.1 1.0 O A:HOH342 2.2 34.1 1.0 CG A:ASP143 2.8 39.8 1.0 OD2 A:ASP143 2.8 36.1 1.0 CE1 D:HIS55 3.0 30.2 1.0 CG D:HIS55 3.0 29.2 1.0 O D:HOH293 3.3 38.0 1.0 CB D:HIS55 3.3 28.0 1.0 O D:HOH327 3.8 36.7 1.0 NE2 D:HIS55 4.1 32.5 1.0 CD2 D:HIS55 4.1 34.0 1.0 O A:HOH243 4.1 39.3 1.0 O A:HOH317 4.2 46.6 1.0 CB A:ASP143 4.2 38.9 1.0 O D:HOH282 4.6 41.6 1.0 CA D:HIS55 4.8 39.6 1.0 O D:HOH256 4.8 36.5 1.0 O D:ARG71 4.9 30.1 1.0 CG D:ARG71 4.9 34.8 1.0

C.L.Brooks, A.Schietinger, S.N.Borisova, P.Kufer, M.Okon, T.Hirama, C.R.Mackenzie, L.X.Wang, H.Schreiber, S.V.Evans. Antibody Recognition of A Unique Tumor-Specific Glycopeptide Antigen. Proc.Natl.Acad.Sci.Usa V. 107 10056 2010.
ISSN: ISSN 0027-8424
PubMed: 20479270
DOI: 10.1073/PNAS.0915176107