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
Go back to
Zinc Binding Sites List in 7e4s
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 Sites List in 7e4s
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
Go back to
Zinc Binding Sites List in 7e4s
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
Go back to
Zinc Binding Sites List in 7e4s
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
Go back to
Zinc Binding Sites List in 7e4s
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
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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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