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Zinc in PDB 3eer: High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961

Protein crystallography data

The structure of High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961, PDB code: 3eer was solved by B.Nocek, N.Maltseva, K.Kwon, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.45
Space group I 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.649, 71.127, 71.629, 90.00, 90.00, 90.00
R / Rfree (%) 13.9 / 16.4

Zinc Binding Sites:

The binding sites of Zinc atom in the High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961 (pdb code 3eer). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961, PDB code: 3eer:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 3eer

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Zinc binding site 1 out of 6 in the High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2001

b:14.2
occ:1.00
O A:ACT1001 1.9 12.8 1.0
O A:HOH3152 2.0 14.0 1.0
OE1 A:GLU40 2.0 7.4 1.0
O A:HOH3155 2.1 11.4 1.0
OE2 A:GLU40 2.6 7.3 1.0
CD A:GLU40 2.7 8.6 1.0
C A:ACT1001 2.8 13.2 1.0
OXT A:ACT1001 2.9 13.9 1.0
O A:HOH3082 3.6 25.9 1.0
O A:HOH3083 3.9 24.5 1.0
CG A:GLU40 4.1 7.9 1.0
CH3 A:ACT1001 4.2 13.6 1.0
N A:LYS39 4.4 5.3 1.0
CB A:LYS39 4.4 6.2 1.0
N A:GLU40 4.5 6.4 1.0
CB A:PRO38 4.5 5.4 1.0
CB A:GLU40 4.9 8.4 1.0
CA A:LYS39 4.9 5.6 1.0

Zinc binding site 2 out of 6 in 3eer

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Zinc binding site 2 out of 6 in the High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2002

b:13.6
occ:0.90
OXT A:ACT1003 2.0 12.8 1.0
O A:ACT1007 2.0 17.5 1.0
ND1 A:HIS68 2.0 7.8 1.0
O A:HOH3153 2.1 2.0 0.5
C A:ACT1003 2.8 12.8 1.0
O A:ACT1003 2.8 14.4 1.0
C A:ACT1007 2.9 17.3 1.0
CE1 A:HIS68 2.9 7.8 1.0
OXT A:ACT1007 3.1 18.6 1.0
CG A:HIS68 3.1 5.3 1.0
O A:HOH3169 3.3 38.9 1.0
CB A:HIS68 3.5 4.4 1.0
NH2 A:ARG71 3.9 13.1 1.0
NE2 A:HIS68 4.1 6.8 1.0
OD1 A:ASN64 4.2 7.2 1.0
CD2 A:HIS68 4.2 5.2 1.0
CH3 A:ACT1003 4.2 14.7 1.0
CH3 A:ACT1007 4.3 17.6 1.0
CA A:HIS68 4.4 4.8 1.0
CH3 A:ACT1002 4.4 9.4 1.0
CZ A:ARG71 5.0 13.2 1.0

Zinc binding site 3 out of 6 in 3eer

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Zinc binding site 3 out of 6 in the High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2003

b:11.0
occ:0.90
OE2 A:GLU79 1.9 12.3 1.0
N1 A:IMD3001 2.0 11.0 1.0
C2 A:IMD3001 3.0 9.5 1.0
CD A:GLU79 3.0 11.0 1.0
C5 A:IMD3001 3.0 9.8 1.0
CG A:GLU79 3.5 7.1 1.0
OE1 A:GLU79 4.1 15.2 1.0
N3 A:IMD3001 4.1 10.8 1.0
C4 A:IMD3001 4.2 10.2 1.0
O A:HOH3108 4.4 47.3 1.0
O A:HOH3161 4.9 18.2 1.0

Zinc binding site 4 out of 6 in 3eer

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Zinc binding site 4 out of 6 in the High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2004

b:7.0
occ:0.95
O A:ACT1002 2.0 8.1 1.0
O A:CYS61 2.1 3.1 1.0
SG A:CYS61 2.3 5.3 1.0
SG A:CYS124 2.3 4.3 1.0
C A:CYS61 2.8 3.1 1.0
C A:ACT1002 2.9 8.3 1.0
OXT A:ACT1002 3.1 9.1 1.0
CB A:CYS61 3.1 3.2 1.0
CA A:CYS61 3.3 4.2 1.0
CB A:CYS124 3.4 3.5 1.0
CD A:PRO125 3.5 4.4 1.0
CA A:CYS124 3.7 3.7 1.0
N A:PHE62 3.7 3.2 1.0
CB A:ALA65 3.9 4.1 1.0
N A:PRO125 4.1 3.2 1.0
N A:ALA65 4.2 3.1 1.0
CA A:PHE62 4.2 3.7 1.0
CG A:PRO125 4.2 5.8 1.0
C A:CYS124 4.3 3.5 1.0
CH3 A:ACT1002 4.3 9.4 1.0
CA A:ALA65 4.5 3.6 1.0
N A:CYS61 4.7 3.6 1.0
N A:TYR126 4.8 3.8 1.0
N A:CYS124 5.0 3.3 1.0

Zinc binding site 5 out of 6 in 3eer

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Zinc binding site 5 out of 6 in the High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2005

b:6.9
occ:0.50
OXT A:ACT1004 2.0 6.8 1.0
NE2 A:HIS105 2.0 2.0 1.0
C A:ACT1004 2.8 7.9 1.0
O A:ACT1004 2.8 7.7 1.0
CE1 A:HIS105 3.0 2.7 1.0
CD2 A:HIS105 3.1 2.9 1.0
O A:HOH3005 3.8 4.0 1.0
ND1 A:HIS105 4.1 3.6 1.0
CG A:HIS105 4.2 3.1 1.0
CH3 A:ACT1004 4.2 9.7 1.0
N A:GLY142 4.4 2.0 1.0
CB A:ALA103 4.4 2.8 1.0
CA A:GLY142 4.5 2.0 1.0

Zinc binding site 6 out of 6 in 3eer

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Zinc binding site 6 out of 6 in the High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of High Resolution Structure of Putative Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2006

b:12.6
occ:0.90
OXT A:LEU145 1.9 3.3 1.0
O A:HOH3183 2.0 13.9 1.0
O A:HOH3104 2.2 9.9 0.5
C A:LEU145 2.8 6.8 1.0
O A:LEU145 2.9 8.2 1.0
O A:HOH3126 4.1 25.9 1.0
CD A:ARG114 4.1 9.2 1.0
O A:HOH3097 4.2 29.3 1.0
CA A:LEU145 4.2 5.0 1.0
NE A:ARG114 4.2 9.2 1.0
CG A:LEU145 4.7 4.0 1.0
O A:ALA144 4.7 4.7 1.0
CD1 A:LEU145 4.9 5.9 1.0
CB A:LEU145 4.9 4.4 1.0
CG A:ARG114 4.9 6.8 1.0

Reference:

B.Nocek, R.Mulligan, K.Kwon, W.F.Anderson, A.Joachimiak. High Resolution Crystal Structure of the Organic Hydroperoxide Resistance Protein From Vibrio Cholerae O1 Biovar Eltor Str. N16961 To Be Published.
Page generated: Wed Dec 16 04:15:49 2020

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