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Zinc in PDB 3e49: Crystal Structure of A Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 A Resolution, PDB code: 3e49 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) 29.66 / 1.75
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.495, 68.275, 83.952, 69.99, 88.07, 72.84
R / Rfree (%) 17.7 / 21.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of A Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 A Resolution (pdb code 3e49). 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 Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 A Resolution, PDB code: 3e49:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 3e49

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Zinc binding site 1 out of 4 in the Crystal Structure of A Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 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 Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn500

b:32.1
occ:1.00
OE2 A:GLU258 2.2 28.0 1.0
NE2 A:HIS49 2.2 20.7 1.0
NE2 A:HIS51 2.2 27.2 1.0
O A:HOH503 2.4 39.1 1.0
O A:HOH502 2.4 31.4 1.0
O A:HOH504 2.7 44.8 1.0
CD A:GLU258 3.0 27.9 1.0
OE1 A:GLU258 3.1 24.8 1.0
CE1 A:HIS49 3.1 29.6 1.0
CD2 A:HIS49 3.1 23.0 1.0
CE1 A:HIS51 3.2 27.0 1.0
CD2 A:HIS51 3.2 29.0 1.0
NH2 A:ARG254 3.9 27.1 1.0
O A:HOH541 4.0 27.0 1.0
OE2 A:GLU171 4.1 40.0 1.0
ND1 A:HIS49 4.2 34.7 1.0
CG A:HIS49 4.3 29.1 1.0
OG1 A:THR85 4.3 29.4 1.0
ND1 A:HIS51 4.3 27.5 1.0
CG A:HIS51 4.4 25.9 1.0
CG A:GLU258 4.4 23.7 1.0
CB A:THR85 4.5 28.0 1.0
O A:HOH673 4.5 50.5 1.0
CA A:GLY15 4.8 26.0 1.0
CZ A:ARG254 4.9 22.8 1.0
NH1 A:ARG254 4.9 26.5 1.0

Zinc binding site 2 out of 4 in 3e49

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Zinc binding site 2 out of 4 in the Crystal Structure of A Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 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 Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn500

b:33.5
occ:1.00
O B:HOH508 1.8 22.9 1.0
NE2 B:HIS49 2.0 25.6 1.0
OE2 B:GLU258 2.2 29.9 1.0
NE2 B:HIS51 2.3 23.3 1.0
O B:HOH507 2.3 35.9 1.0
O B:HOH506 2.4 31.4 1.0
CE1 B:HIS49 3.0 33.3 1.0
CD B:GLU258 3.0 29.4 1.0
CD2 B:HIS49 3.0 27.2 1.0
OE1 B:GLU258 3.1 30.0 1.0
CD2 B:HIS51 3.2 31.9 1.0
CE1 B:HIS51 3.2 35.4 1.0
O B:HOH560 3.9 31.8 1.0
NH2 B:ARG254 4.0 31.8 1.0
ND1 B:HIS49 4.1 36.4 1.0
CG B:HIS49 4.2 28.8 1.0
OG1 B:THR85 4.2 33.9 1.0
OE2 B:GLU171 4.2 38.7 1.0
ND1 B:HIS51 4.3 32.8 1.0
CG B:HIS51 4.4 31.9 1.0
CG B:GLU258 4.4 26.7 1.0
CB B:THR85 4.5 32.8 1.0
O B:HOH595 4.8 61.6 1.0
NH1 B:ARG254 4.8 29.3 1.0
CZ B:ARG254 4.9 26.8 1.0
CA B:GLY15 4.9 31.7 1.0

Zinc binding site 3 out of 4 in 3e49

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Zinc binding site 3 out of 4 in the Crystal Structure of A Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 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 Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn500

b:29.1
occ:1.00
OE2 C:GLU258 2.1 22.9 1.0
NE2 C:HIS51 2.2 23.5 1.0
NE2 C:HIS49 2.3 23.4 1.0
O C:HOH506 2.4 28.2 1.0
O C:HOH507 2.5 30.5 1.0
CD C:GLU258 2.9 15.2 1.0
O C:HOH748 3.0 44.1 1.0
OE1 C:GLU258 3.1 18.5 1.0
CE1 C:HIS51 3.1 23.9 1.0
CD2 C:HIS49 3.2 30.9 1.0
CE1 C:HIS49 3.2 32.0 1.0
CD2 C:HIS51 3.2 19.3 1.0
O C:HOH532 4.0 21.8 1.0
NH2 C:ARG254 4.0 22.2 1.0
OE2 C:GLU171 4.1 42.1 1.0
OG1 C:THR85 4.2 23.8 1.0
ND1 C:HIS49 4.3 33.7 1.0
ND1 C:HIS51 4.3 20.5 1.0
CG C:HIS49 4.3 24.0 1.0
CG C:HIS51 4.3 21.6 1.0
CG C:GLU258 4.4 17.8 1.0
CB C:THR85 4.6 17.6 1.0
O C:HOH674 4.6 45.3 1.0
NH1 C:ARG254 4.8 24.4 1.0
O C:HOH688 4.8 48.0 1.0
CA C:GLY15 4.9 22.3 1.0
CZ C:ARG254 4.9 21.2 1.0

Zinc binding site 4 out of 4 in 3e49

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Zinc binding site 4 out of 4 in the Crystal Structure of A Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 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 Prokaryotic Domain of Unknown Function (DUF849) with A Tim Barrel Fold (BXE_C0966) From Burkholderia Xenovorans LB400 at 1.75 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn500

b:27.3
occ:1.00
OE2 D:GLU258 2.2 16.4 1.0
NE2 D:HIS51 2.2 13.9 1.0
NE2 D:HIS49 2.2 23.1 1.0
O D:HOH505 2.3 28.1 1.0
O D:HOH504 2.4 27.4 1.0
O D:HOH506 2.8 42.9 1.0
CD D:GLU258 3.0 17.2 1.0
CE1 D:HIS51 3.1 20.4 1.0
OE1 D:GLU258 3.1 23.6 1.0
CE1 D:HIS49 3.1 29.4 1.0
CD2 D:HIS51 3.2 13.9 1.0
CD2 D:HIS49 3.2 23.0 1.0
O D:HOH529 3.9 22.5 1.0
NH2 D:ARG254 4.0 23.8 1.0
ND1 D:HIS51 4.2 18.2 1.0
OG1 D:THR85 4.2 25.9 1.0
ND1 D:HIS49 4.3 24.5 1.0
OE2 D:GLU171 4.3 37.1 1.0
CG D:HIS51 4.3 15.7 1.0
CG D:HIS49 4.4 21.8 1.0
CG D:GLU258 4.4 19.4 1.0
CB D:THR85 4.5 21.9 1.0
O D:HOH683 4.7 45.5 1.0
CA D:GLY15 4.9 19.1 1.0
NH1 D:ARG254 4.9 23.5 1.0
CZ D:ARG254 4.9 21.3 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Thu Oct 24 12:36:39 2024

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