Zinc in PDB 1uup: Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1).

The structure of Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1)., PDB code: 1uup was solved by M.D.Baker, I.Gendlina, C.M.Collins, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.300, 127.200, 148.000, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 28.2

The binding sites of Zinc atom in the Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1). (pdb code 1uup). 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 A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1)., PDB code: 1uup:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1).


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 A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1). within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2222 b:31.8 occ:1.00 ND1 A:HIS1106 2.0 18.9 1.0 OE1 A:GLU1033 2.0 28.8 1.0 NE2 A:HIS1110 2.1 25.1 1.0 OD2 A:ASP1077 2.3 22.4 1.0 OD1 A:ASP1077 2.4 12.6 1.0 CE1 A:HIS1106 2.6 18.1 1.0 CG A:ASP1077 2.7 20.0 1.0 CD A:GLU1033 2.9 28.8 1.0 CE1 A:HIS1110 3.0 24.2 1.0 CD2 A:HIS1110 3.1 24.0 1.0 CG A:HIS1106 3.2 19.9 1.0 OE2 A:GLU1033 3.3 26.9 1.0 NE2 A:HIS1106 3.8 21.5 1.0 CB A:HIS1106 3.9 16.1 1.0 O A:GLU1033 3.9 33.1 1.0 CA A:HIS1106 4.1 19.4 1.0 ND1 A:HIS1110 4.1 26.7 1.0 CB A:ASP1077 4.2 20.7 1.0 CD2 A:HIS1106 4.2 18.6 1.0 CG A:HIS1110 4.2 25.2 1.0 CG A:GLU1033 4.2 27.3 1.0 O A:HIS1106 4.3 18.8 1.0 C A:GLU1033 4.4 31.3 1.0 CB A:GLU1033 4.4 28.5 1.0 CA A:GLU1033 4.5 30.0 1.0 C A:HIS1106 4.6 20.5 1.0 O A:HOH2017 4.7 10.6 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1).


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 A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1). within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn3222 b:55.7 occ:1.00 OD2 B:ASP2077 2.1 31.7 1.0 CE1 B:HIS2110 2.2 28.1 1.0 CD2 B:HIS2106 2.3 24.8 1.0 OD1 B:ASP2077 2.3 30.5 1.0 CG B:ASP2077 2.5 30.0 1.0 OE1 B:GLU2033 2.7 35.0 1.0 NE2 B:HIS2110 2.7 29.3 1.0 NE2 B:HIS2106 2.8 23.4 1.0 CG B:HIS2106 3.1 24.1 1.0 ND1 B:HIS2110 3.4 27.6 1.0 CE1 B:HIS2106 3.7 20.7 1.0 ND1 B:HIS2106 3.8 23.1 1.0 CD B:GLU2033 3.8 37.3 1.0 CB B:HIS2106 3.9 25.4 1.0 CB B:ASP2077 3.9 28.0 1.0 O B:GLU2033 4.0 32.8 1.0 CD2 B:HIS2110 4.0 29.3 1.0 CA B:HIS2106 4.2 26.6 1.0 C B:GLU2033 4.3 30.1 1.0 CG B:HIS2110 4.3 28.8 1.0 CB B:GLU2033 4.4 29.2 1.0 O B:HOH3009 4.4 14.2 1.0 CA B:GLU2033 4.4 29.3 1.0 O B:HIS2106 4.6 25.8 1.0 CG B:GLU2033 4.6 33.1 1.0 OE2 B:GLU2033 4.7 40.0 1.0 C B:HIS2106 4.8 26.3 1.0 CA B:ASP2077 4.9 25.0 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1).


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 A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1). within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn4222 b:35.4 occ:1.00 OE1 C:GLU3033 1.8 25.1 1.0 OD2 C:ASP3077 1.9 30.3 1.0 CD2 C:HIS3106 2.1 29.5 1.0 CE1 C:HIS3110 2.2 31.7 1.0 CG C:ASP3077 2.5 28.4 1.0 OD1 C:ASP3077 2.5 26.5 1.0 CD C:GLU3033 2.7 26.2 1.0 NE2 C:HIS3110 2.7 33.5 1.0 CG C:HIS3106 3.0 29.1 1.0 NE2 C:HIS3106 3.1 31.6 1.0 OE2 C:GLU3033 3.3 24.6 1.0 ND1 C:HIS3110 3.4 33.0 1.0 CB C:HIS3106 3.5 26.1 1.0 CG C:GLU3033 3.7 25.5 1.0 CA C:HIS3106 3.7 27.1 1.0 CB C:ASP3077 3.9 26.1 1.0 O C:HIS3106 4.0 28.1 1.0 CD2 C:HIS3110 4.0 34.5 1.0 ND1 C:HIS3106 4.1 31.3 1.0 CE1 C:HIS3106 4.1 31.2 1.0 C C:HIS3106 4.2 27.5 1.0 CG C:HIS3110 4.3 31.8 1.0 N C:ASN3034 4.4 23.0 1.0 O C:HOH2017 4.5 16.8 1.0 CB C:GLU3033 4.8 21.7 1.0 O C:HOH2005 4.8 20.2 1.0 CA C:GLU3033 4.9 22.8 1.0 N C:HIS3106 5.0 25.1 1.0 CA C:ASP3077 5.0 23.7 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1).


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 A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1). within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn5222 b:34.4 occ:1.00 NE2 D:HIS4110 1.9 36.5 1.0 OE1 D:GLU4033 2.0 24.4 1.0 OD2 D:ASP4077 2.1 22.6 1.0 CD2 D:HIS4106 2.3 28.5 1.0 OD1 D:ASP4077 2.4 24.3 1.0 CG D:ASP4077 2.5 21.9 1.0 CE1 D:HIS4110 2.6 34.1 1.0 CD D:GLU4033 3.0 24.6 1.0 CD2 D:HIS4110 3.1 34.9 1.0 NE2 D:HIS4106 3.2 27.7 1.0 CG D:HIS4106 3.3 27.6 1.0 OE2 D:GLU4033 3.5 25.0 1.0 ND1 D:HIS4110 3.8 35.0 1.0 CB D:HIS4106 3.9 26.4 1.0 CB D:ASP4077 4.0 21.1 1.0 CA D:HIS4106 4.1 26.9 1.0 CG D:HIS4110 4.1 33.9 1.0 O D:HIS4106 4.2 28.6 1.0 CE1 D:HIS4106 4.3 28.2 1.0 CG D:GLU4033 4.3 22.6 1.0 ND1 D:HIS4106 4.3 28.9 1.0 N D:ASN4034 4.4 17.8 1.0 O D:HOH2022 4.5 19.3 1.0 CB D:GLU4033 4.5 18.1 1.0 O D:HOH2016 4.5 26.3 1.0 C D:HIS4106 4.6 28.4 1.0 CA D:GLU4033 4.7 19.8 1.0

M.D.Baker, I.Gendlina, C.M.Collins, K.R.Acharya. Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SPEA1) Protein Sci. V. 13 2285 2004.
ISSN: ISSN 0961-8368
PubMed: 15295110
DOI: 10.1110/PS.04826804