Zinc in PDB 3tis: Crystal Structures of Yrda From Escherichia Coli, A Homologous Protein of Gamma-Class Carbonic Anhydrases, Show Possible Allosteric Conformations

The structure of Crystal Structures of Yrda From Escherichia Coli, A Homologous Protein of Gamma-Class Carbonic Anhydrases, Show Possible Allosteric Conformations, PDB code: 3tis was solved by H.M.Park, J.W.Chio, J.E.Lee, J.H.Jung, B.Y.Kim, J.S.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	96.793, 96.793, 87.398, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 24.2

The binding sites of Zinc atom in the Crystal Structures of Yrda From Escherichia Coli, A Homologous Protein of Gamma-Class Carbonic Anhydrases, Show Possible Allosteric Conformations (pdb code 3tis). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structures of Yrda From Escherichia Coli, A Homologous Protein of Gamma-Class Carbonic Anhydrases, Show Possible Allosteric Conformations, PDB code: 3tis:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structures of Yrda From Escherichia Coli, A Homologous Protein of Gamma-Class Carbonic Anhydrases, Show Possible Allosteric Conformations


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structures of Yrda From Escherichia Coli, A Homologous Protein of Gamma-Class Carbonic Anhydrases, Show Possible Allosteric Conformations within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn185 b:19.9 occ:1.00 ND1 A:HIS67 2.2 14.7 1.0 NE2 A:HIS96 2.2 8.7 1.0 NE2 C:HIS91 2.2 9.0 1.0 NE2 A:HIS70 2.3 21.3 1.0 CD2 C:HIS91 2.9 10.4 1.0 CD2 A:HIS96 2.9 9.4 1.0 CE1 A:HIS67 3.1 14.4 1.0 CD2 A:HIS70 3.2 23.2 1.0 CE1 A:HIS70 3.2 22.3 1.0 CG A:HIS67 3.2 12.7 1.0 CE1 A:HIS96 3.3 9.3 1.0 CE1 C:HIS91 3.4 10.5 1.0 CB A:HIS67 3.6 14.3 1.0 OE1 C:GLN61 3.8 9.6 1.0 O A:VAL68 3.9 15.1 1.0 CG A:HIS96 4.2 9.7 1.0 CG C:HIS91 4.2 11.7 1.0 O C:HOH260 4.2 28.7 1.0 NE2 A:HIS67 4.2 16.0 1.0 CD2 A:HIS67 4.3 13.3 1.0 OH C:TYR168 4.3 23.1 1.0 ND1 A:HIS70 4.3 25.4 1.0 CG A:HIS70 4.3 26.1 1.0 ND1 A:HIS96 4.3 9.1 1.0 ND1 C:HIS91 4.4 13.6 1.0 C A:VAL68 5.0 16.2 1.0

Zinc binding site 2 out of 3 in the Crystal Structures of Yrda From Escherichia Coli, A Homologous Protein of Gamma-Class Carbonic Anhydrases, Show Possible Allosteric Conformations


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structures of Yrda From Escherichia Coli, A Homologous Protein of Gamma-Class Carbonic Anhydrases, Show Possible Allosteric Conformations within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn185 b:21.8 occ:1.00 NE2 B:HIS96 2.1 12.1 1.0 ND1 B:HIS67 2.2 9.2 1.0 NE2 A:HIS91 2.2 8.6 1.0 O A:HOH244 2.4 10.0 1.0 CD2 B:HIS96 2.9 10.4 1.0 CE1 B:HIS67 3.0 8.7 1.0 CD2 A:HIS91 3.2 9.8 1.0 CE1 A:HIS91 3.2 8.5 1.0 CG B:HIS67 3.2 10.9 1.0 CE1 B:HIS96 3.3 12.0 1.0 CB B:HIS67 3.6 11.5 1.0 O B:VAL68 3.7 21.0 1.0 OE1 A:GLN61 3.9 14.6 1.0 O A:HOH286 3.9 28.9 1.0 OH A:TYR168 4.0 14.0 1.0 CG B:HIS96 4.2 11.3 1.0 NE2 B:HIS67 4.2 8.5 1.0 O A:HOH235 4.2 19.6 1.0 CD2 B:HIS67 4.3 8.3 1.0 ND1 B:HIS96 4.3 11.7 1.0 ND1 A:HIS91 4.3 10.4 1.0 CG A:HIS91 4.3 9.3 1.0 N B:VAL68 4.6 14.8 1.0 C B:VAL68 4.7 19.0 1.0 CA B:HIS67 4.9 10.9 1.0 O A:HOH273 5.0 17.1 1.0 C B:HIS67 5.0 11.5 1.0

Zinc binding site 3 out of 3 in the Crystal Structures of Yrda From Escherichia Coli, A Homologous Protein of Gamma-Class Carbonic Anhydrases, Show Possible Allosteric Conformations


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structures of Yrda From Escherichia Coli, A Homologous Protein of Gamma-Class Carbonic Anhydrases, Show Possible Allosteric Conformations within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1 b:25.1 occ:1.00 NE2 C:HIS96 2.1 14.0 1.0 ND1 C:HIS67 2.2 20.8 1.0 NE2 C:HIS70 2.3 49.2 1.0 NE2 B:HIS91 2.4 16.6 1.0 CD2 C:HIS96 2.8 15.3 1.0 CD2 C:HIS70 3.1 48.5 1.0 CE1 C:HIS67 3.1 20.3 1.0 CD2 B:HIS91 3.1 14.7 1.0 CG C:HIS67 3.1 19.8 1.0 CE1 C:HIS96 3.3 16.6 1.0 CE1 C:HIS70 3.3 48.7 1.0 CB C:HIS67 3.5 17.1 1.0 CE1 B:HIS91 3.5 16.0 1.0 O C:VAL68 3.7 28.5 1.0 O B:HOH230 3.9 26.5 1.0 CG C:HIS96 4.0 16.3 1.0 OE1 B:GLN61 4.0 12.6 1.0 OH B:TYR168 4.2 19.6 1.0 NE2 C:HIS67 4.2 18.4 1.0 CG C:HIS70 4.2 49.1 1.0 ND1 C:HIS96 4.2 17.2 1.0 CD2 C:HIS67 4.2 19.7 1.0 ND1 C:HIS70 4.3 49.5 1.0 CG B:HIS91 4.4 16.2 1.0 ND1 B:HIS91 4.5 16.1 1.0 N C:VAL68 4.8 21.1 1.0 C C:VAL68 4.8 28.1 1.0 CA C:HIS67 4.8 16.3 1.0

H.M.Park, J.H.Park, J.W.Choi, J.E.Lee, B.Y.Kim, C.H.Jung, J.S.Kim. Structures of the Gamma-Class Carbonic Anhydrase Homologue Yrda Suggest A Possible Allosteric Switch Acta Crystallogr.,Sect.D V. 68 920 2012.
ISSN: ISSN 0907-4449
PubMed: 22868757
DOI: 10.1107/S0907444912017210