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Zinc in PDB 7e4s: Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes

Enzymatic activity of Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes

All present enzymatic activity of Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes:
5.3.1.17;

Protein crystallography data

The structure of Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes, PDB code: 7e4s was solved by Y.Yamamoto, R.Takase, B.Mikami, W.Hashimoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.31 / 2.79
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 94.29, 189.25, 117.8, 90, 106.24, 90
R / Rfree (%) 16.5 / 23.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes (pdb code 7e4s). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes, PDB code: 7e4s:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 7e4s

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Zinc binding site 1 out of 6 in the Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes


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 Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:102.9
occ:1.00
OE2 A:GLU205 2.1 119.3 1.0
NE2 A:HIS248 2.4 95.3 1.0
NE2 A:HIS200 2.5 108.2 1.0
NE2 A:HIS198 2.8 132.1 1.0
CD2 A:HIS200 2.8 108.0 1.0
CD2 A:HIS198 3.1 132.1 1.0
CD A:GLU205 3.2 101.9 1.0
CD2 A:HIS248 3.3 93.0 1.0
C7 A:EPE301 3.3 110.8 1.0
CE1 A:HIS248 3.4 92.9 1.0
O8 A:EPE301 3.4 102.7 1.0
CE1 A:HIS200 3.7 105.1 1.0
CG A:GLU205 3.9 84.6 1.0
C8 A:EPE301 4.0 107.7 1.0
CE1 A:HIS198 4.1 135.2 1.0
OE1 A:GLU205 4.1 112.2 1.0
CG A:HIS200 4.2 109.8 1.0
CG A:HIS198 4.5 134.5 1.0
CG A:HIS248 4.5 92.3 1.0
N4 A:EPE301 4.5 118.7 1.0
ND1 A:HIS248 4.5 92.4 1.0
ND1 A:HIS200 4.5 109.6 1.0
C5 A:EPE301 4.7 117.5 1.0
ND1 A:HIS198 4.9 138.1 1.0
CB A:GLU205 4.9 73.1 1.0

Zinc binding site 2 out of 6 in 7e4s

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Zinc binding site 2 out of 6 in the Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes


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 Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn302

b:128.8
occ:1.00
OE2 B:GLU205 1.8 140.1 1.0
CE1 B:HIS248 2.3 65.6 1.0
CE1 B:HIS198 2.5 103.8 1.0
NE2 B:HIS200 2.5 96.2 1.0
CD B:GLU205 3.0 109.3 1.0
NE2 B:HIS248 3.0 63.9 1.0
CD2 B:HIS200 3.0 97.9 1.0
ND1 B:HIS198 3.2 104.6 1.0
O8 B:EPE301 3.4 111.2 1.0
ND1 B:HIS248 3.5 60.8 1.0
NE2 B:HIS198 3.6 105.0 1.0
CG B:GLU205 3.6 80.5 1.0
C7 B:EPE301 3.7 121.1 1.0
CE1 B:HIS200 3.7 96.3 1.0
OE1 B:GLU205 4.0 120.2 1.0
C8 B:EPE301 4.1 115.1 1.0
CD2 B:HIS248 4.3 64.2 1.0
CG B:HIS200 4.3 100.6 1.0
C5 B:EPE301 4.3 117.3 1.0
N4 B:EPE301 4.4 122.8 1.0
CG B:HIS198 4.5 107.0 1.0
CG B:HIS248 4.5 66.8 1.0
OH B:TYR207 4.6 82.6 1.0
ND1 B:HIS200 4.6 96.6 1.0
CD2 B:HIS198 4.7 106.5 1.0
CB B:GLU205 4.8 73.3 1.0
CE B:MET272 5.0 100.7 1.0

Zinc binding site 3 out of 6 in 7e4s

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Zinc binding site 3 out of 6 in the Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes


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 Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn302

b:112.8
occ:1.00
OE2 C:GLU205 1.9 150.0 1.0
NE2 C:HIS248 2.4 102.4 1.0
NE2 C:HIS200 2.5 121.0 1.0
CE1 C:HIS198 2.5 97.2 1.0
CD C:GLU205 2.9 126.2 1.0
CD2 C:HIS200 3.1 121.5 1.0
ND1 C:HIS198 3.3 97.4 1.0
CE1 C:HIS248 3.3 104.0 1.0
CD2 C:HIS248 3.4 101.9 1.0
NE2 C:HIS198 3.5 96.7 1.0
CG C:GLU205 3.5 103.1 1.0
CE1 C:HIS200 3.6 120.4 1.0
C7 C:EPE301 4.0 136.3 1.0
OE1 C:GLU205 4.0 132.2 1.0
N4 C:EPE301 4.1 134.2 1.0
C3 C:EPE301 4.1 133.4 1.0
CG C:HIS200 4.3 121.2 1.0
ND1 C:HIS248 4.4 101.6 1.0
CG C:HIS248 4.5 97.8 1.0
CG C:HIS198 4.5 97.9 1.0
ND1 C:HIS200 4.6 120.0 1.0
CD2 C:HIS198 4.6 96.7 1.0
OH C:TYR207 4.6 85.1 1.0
CB C:GLU205 4.7 91.2 1.0
C8 C:EPE301 4.8 136.4 1.0
C6 C:EPE301 4.8 126.1 1.0
C5 C:EPE301 4.9 129.3 1.0
O8 C:EPE301 5.0 133.6 1.0

Zinc binding site 4 out of 6 in 7e4s

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Zinc binding site 4 out of 6 in the Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes


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 Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn302

b:126.3
occ:1.00
OE2 D:GLU205 2.0 140.9 1.0
CD D:GLU205 3.0 117.2 1.0
CE1 D:HIS248 3.0 115.1 1.0
NE2 D:HIS248 3.2 111.7 1.0
ND1 D:HIS248 3.2 110.3 1.0
C5 D:EPE301 3.3 164.4 1.0
CD2 D:HIS248 3.5 107.9 1.0
CG D:HIS248 3.5 105.5 1.0
C8 D:EPE301 3.8 145.8 1.0
CG D:GLU205 3.8 104.1 1.0
OE1 D:GLU205 3.8 119.4 1.0
ND1 D:HIS200 3.9 128.8 1.0
C6 D:EPE301 4.1 166.1 1.0
N4 D:EPE301 4.2 159.8 1.0
OH D:TYR207 4.3 96.1 1.0
C7 D:EPE301 4.3 151.4 1.0
O8 D:EPE301 4.4 142.2 1.0
CB D:HIS200 4.5 139.4 1.0
CB D:HIS248 4.5 99.4 1.0
CG D:HIS200 4.5 134.3 1.0
CB D:GLU205 4.7 90.3 1.0
CE1 D:HIS200 4.8 126.8 1.0

Zinc binding site 5 out of 6 in 7e4s

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Zinc binding site 5 out of 6 in the Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn302

b:130.7
occ:1.00
OE2 E:GLU205 2.0 149.2 1.0
NE2 E:HIS200 2.7 104.4 1.0
CE1 E:HIS248 2.8 102.1 1.0
CD2 E:HIS200 2.9 107.6 1.0
NE2 E:HIS248 3.1 99.1 1.0
C7 E:EPE301 3.1 125.5 1.0
CD E:GLU205 3.1 126.7 1.0
CG E:GLU205 3.7 107.3 1.0
ND1 E:HIS248 3.7 101.5 1.0
N4 E:EPE301 3.8 128.8 1.0
CE1 E:HIS200 3.9 106.2 1.0
C3 E:EPE301 4.1 130.8 1.0
OE1 E:GLU205 4.1 131.7 1.0
CD2 E:HIS248 4.2 97.3 1.0
C8 E:EPE301 4.2 125.7 1.0
CG E:HIS200 4.2 108.8 1.0
O8 E:EPE301 4.3 124.0 1.0
CG E:HIS248 4.5 96.5 1.0
C5 E:EPE301 4.6 125.7 1.0
ND1 E:HIS200 4.7 108.2 1.0
OH E:TYR207 4.7 94.5 1.0
C6 E:EPE301 4.7 127.0 1.0
CB E:GLU205 4.8 91.5 1.0

Zinc binding site 6 out of 6 in 7e4s

Go back to Zinc Binding Sites List in 7e4s
Zinc binding site 6 out of 6 in the Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5- Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn302

b:118.6
occ:1.00
OE2 F:GLU205 1.9 134.5 1.0
NE2 F:HIS248 2.1 126.3 1.0
NE2 F:HIS200 2.5 105.5 1.0
CD F:GLU205 2.8 107.4 1.0
CE1 F:HIS198 2.9 103.2 1.0
CD2 F:HIS248 3.0 116.6 1.0
CE1 F:HIS248 3.0 116.7 1.0
CD2 F:HIS200 3.2 108.6 1.0
ND1 F:HIS198 3.3 103.9 1.0
C8 F:EPE301 3.3 105.4 1.0
CG F:GLU205 3.5 84.5 1.0
CE1 F:HIS200 3.7 106.2 1.0
OE1 F:GLU205 3.8 114.6 1.0
ND1 F:HIS248 4.1 115.1 1.0
CG F:HIS248 4.1 111.8 1.0
O8 F:EPE301 4.2 100.0 1.0
NE2 F:HIS198 4.2 107.6 1.0
N4 F:EPE301 4.3 112.7 1.0
C5 F:EPE301 4.3 109.0 1.0
C7 F:EPE301 4.4 111.8 1.0
CB F:GLU205 4.5 68.9 1.0
CG F:HIS200 4.5 107.5 1.0
OH F:TYR207 4.5 60.1 1.0
C3 F:EPE301 4.6 110.6 1.0
CG F:HIS198 4.7 108.0 1.0
ND1 F:HIS200 4.7 108.3 1.0

Reference:

Y.Yamamoto, R.Takase, B.Mikami, W.Hashimoto. Crystal Structure of Lactobacillus Rhamnosus 4-Deoxy-L-Threo-5-Hexosulose-Uronate Ketol-Isomerase Kdui Complexed with Hepes To Be Published.
Page generated: Tue Oct 29 19:33:47 2024

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