Zinc in PDB 2fqp: Crystal Structure of A Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution

The structure of Crystal Structure of A Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution, PDB code: 2fqp was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.919, 92.651, 53.058, 90.00, 106.40, 90.00
R / Rfree (%)	15.4 / 20.2

The binding sites of Zinc atom in the Crystal Structure of A Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution (pdb code 2fqp). 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 Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution, PDB code: 2fqp:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of A Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution


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 Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn100 b:22.1 occ:1.00 NE2 A:HIS33 2.0 11.8 1.0 O A:HOH166 2.0 16.4 1.0 NE2 A:HIS35 2.0 13.8 1.0 O A:HOH165 2.3 21.4 1.0 NE2 A:HIS76 2.3 23.1 1.0 O A:HOH164 2.4 31.4 1.0 CE1 A:HIS35 2.9 16.5 1.0 CE1 A:HIS33 3.0 12.2 1.0 CD2 A:HIS33 3.0 16.0 1.0 CD2 A:HIS35 3.1 16.9 1.0 CE1 A:HIS76 3.2 19.8 1.0 CD2 A:HIS76 3.3 17.2 1.0 OXT A:ACT101 4.0 13.6 1.0 ND1 A:HIS35 4.1 12.3 1.0 ND1 A:HIS33 4.1 10.3 1.0 OE2 A:GLU90 4.1 24.5 1.0 CG A:HIS33 4.2 12.0 1.0 CG A:HIS35 4.2 10.5 1.0 ND1 A:HIS76 4.4 12.0 1.0 OH A:TYR39 4.4 13.6 1.0 CG2 A:VAL78 4.4 11.3 1.0 CG A:HIS76 4.4 13.7 1.0 OE1 A:GLU90 4.6 20.1 1.0 CD A:GLU90 4.7 16.7 1.0 CZ A:TYR39 4.8 11.7 1.0 CE2 A:TYR39 5.0 11.9 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of A Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution


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 Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn100 b:20.7 occ:1.00 NE2 B:HIS33 2.1 14.6 1.0 O B:HOH170 2.1 14.7 1.0 NE2 B:HIS35 2.1 16.8 1.0 O B:HOH171 2.2 33.7 1.0 NE2 B:HIS76 2.2 20.7 1.0 O B:HOH169 2.3 16.5 1.0 CE1 B:HIS35 2.9 17.8 1.0 CD2 B:HIS33 3.0 13.5 1.0 CE1 B:HIS33 3.1 15.7 1.0 CD2 B:HIS35 3.2 17.9 1.0 CE1 B:HIS76 3.2 14.4 1.0 CD2 B:HIS76 3.2 16.7 1.0 OE1 B:GLU90 4.1 30.1 1.0 ND1 B:HIS35 4.1 9.4 1.0 ND1 B:HIS33 4.1 15.2 1.0 CG B:HIS33 4.2 13.4 1.0 CG B:HIS35 4.2 10.9 1.0 OXT B:ACT101 4.3 22.5 1.0 ND1 B:HIS76 4.3 12.3 1.0 CG B:HIS76 4.4 12.0 1.0 OE2 B:GLU90 4.4 21.8 1.0 CG2 B:VAL78 4.4 14.8 1.0 CD B:GLU90 4.7 21.2 1.0 OH B:TYR39 4.7 12.4 1.0 CZ B:TYR39 5.0 13.2 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of A Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution


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 Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn100 b:22.0 occ:1.00 NE2 C:HIS35 2.1 18.5 1.0 NE2 C:HIS33 2.1 13.9 1.0 O C:HOH176 2.2 14.9 1.0 O C:HOH175 2.2 25.4 1.0 NE2 C:HIS76 2.2 22.0 1.0 O C:HOH174 2.3 18.9 1.0 CE1 C:HIS35 3.0 22.1 1.0 CD2 C:HIS33 3.1 11.1 1.0 CE1 C:HIS33 3.1 16.1 1.0 CD2 C:HIS35 3.1 15.8 1.0 CE1 C:HIS76 3.2 19.5 1.0 CD2 C:HIS76 3.2 17.0 1.0 ND1 C:HIS35 4.1 15.8 1.0 ND1 C:HIS33 4.2 20.4 1.0 CG C:HIS33 4.2 13.0 1.0 OE1 C:GLU90 4.2 30.2 1.0 CG C:HIS35 4.2 14.9 1.0 OE2 C:GLU90 4.3 19.4 1.0 ND1 C:HIS76 4.3 17.3 1.0 CG C:HIS76 4.4 17.7 1.0 OXT C:ACT101 4.4 29.1 1.0 OH C:TYR39 4.4 15.8 1.0 O C:HOH156 4.5 24.1 1.0 CD C:GLU90 4.6 20.0 1.0 CG2 C:VAL78 4.7 13.2 1.0 CZ C:TYR39 4.9 15.9 1.0 CH3 C:ACT101 4.9 30.1 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of A Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution


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 Cupin Domain (BP2299) From Bordetella Pertussis Tohama I at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn100 b:32.6 occ:1.00 NE2 D:HIS35 2.0 17.4 1.0 NE2 D:HIS33 2.1 17.5 1.0 NE2 D:HIS76 2.5 23.4 1.0 CE1 D:HIS35 3.0 11.3 1.0 CD2 D:HIS33 3.0 23.9 1.0 CD2 D:HIS35 3.0 18.9 1.0 CE1 D:HIS33 3.1 15.3 1.0 CD2 D:HIS76 3.4 9.1 1.0 CE1 D:HIS76 3.6 14.2 1.0 OXT D:ACT101 3.7 22.6 1.0 ND1 D:HIS35 4.1 13.1 1.0 CG D:HIS35 4.1 11.4 1.0 CG D:HIS33 4.2 18.6 1.0 ND1 D:HIS33 4.2 17.5 1.0 OE1 D:GLU90 4.2 26.1 1.0 OH D:TYR39 4.3 13.2 1.0 CG2 D:VAL78 4.4 15.2 1.0 CG D:HIS76 4.6 17.6 1.0 ND1 D:HIS76 4.7 21.4 1.0 C D:ACT101 4.7 21.3 1.0 CZ D:TYR39 4.7 13.7 1.0 OE2 D:GLU90 4.8 21.0 1.0 CE2 D:TYR39 4.9 9.7 1.0 CD D:GLU90 5.0 16.9 1.0 CH3 D:ACT101 5.0 21.0 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.