Zinc in PDB 1gkr: L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
Enzymatic activity of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
All present enzymatic activity of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens:
3.5.2.2;
Protein crystallography data
The structure of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens, PDB code: 1gkr
was solved by
J.Abendroth,
K.Niefind,
D.Schomburg,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.60
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
111.500,
74.300,
146.900,
90.00,
106.57,
90.00
|
R / Rfree (%)
|
22.4 /
24.4
|
Zinc Binding Sites:
The binding sites of Zinc atom in the L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
(pdb code 1gkr). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens, PDB code: 1gkr:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 1gkr
Go back to
Zinc Binding Sites List in 1gkr
Zinc binding site 1 out
of 8 in the L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1452
b:19.3
occ:1.00
|
OQ1
|
A:KCX147
|
1.8
|
9.7
|
1.0
|
ND1
|
A:HIS183
|
2.0
|
3.0
|
1.0
|
NE2
|
A:HIS239
|
2.3
|
14.1
|
1.0
|
O
|
A:HOH2124
|
2.7
|
20.7
|
1.0
|
CX
|
A:KCX147
|
2.8
|
12.8
|
1.0
|
CE1
|
A:HIS183
|
2.8
|
6.6
|
1.0
|
OQ2
|
A:KCX147
|
3.1
|
9.2
|
1.0
|
CG
|
A:HIS183
|
3.2
|
8.5
|
1.0
|
CD2
|
A:HIS239
|
3.2
|
11.5
|
1.0
|
CE1
|
A:HIS239
|
3.2
|
9.8
|
1.0
|
O
|
A:HOH2123
|
3.2
|
20.7
|
1.0
|
ZN
|
A:ZN1453
|
3.6
|
17.0
|
1.0
|
CB
|
A:HIS183
|
3.7
|
8.5
|
1.0
|
O
|
A:ALA285
|
3.9
|
20.4
|
1.0
|
NZ
|
A:KCX147
|
4.0
|
10.8
|
1.0
|
NE2
|
A:HIS183
|
4.0
|
8.6
|
1.0
|
CD2
|
A:HIS183
|
4.2
|
3.6
|
1.0
|
ND1
|
A:HIS239
|
4.4
|
10.5
|
1.0
|
CG
|
A:HIS239
|
4.4
|
9.6
|
1.0
|
CE1
|
A:HIS60
|
4.7
|
18.9
|
1.0
|
CA
|
A:HIS183
|
4.7
|
10.0
|
1.0
|
NE2
|
A:HIS60
|
4.9
|
16.8
|
1.0
|
OD2
|
A:ASP312
|
4.9
|
18.3
|
1.0
|
C
|
A:ALA285
|
5.0
|
15.7
|
1.0
|
|
Zinc binding site 2 out
of 8 in 1gkr
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Zinc Binding Sites List in 1gkr
Zinc binding site 2 out
of 8 in the L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1453
b:17.0
occ:1.00
|
NE2
|
A:HIS60
|
2.1
|
16.8
|
1.0
|
OD1
|
A:ASP312
|
2.1
|
12.8
|
1.0
|
NE2
|
A:HIS62
|
2.1
|
10.4
|
1.0
|
OQ2
|
A:KCX147
|
2.2
|
9.2
|
1.0
|
O
|
A:HOH2124
|
2.5
|
20.7
|
1.0
|
CE1
|
A:HIS60
|
2.9
|
18.9
|
1.0
|
CD2
|
A:HIS62
|
3.1
|
11.2
|
1.0
|
CG
|
A:ASP312
|
3.1
|
14.0
|
1.0
|
CE1
|
A:HIS62
|
3.1
|
9.4
|
1.0
|
CD2
|
A:HIS60
|
3.2
|
18.0
|
1.0
|
CX
|
A:KCX147
|
3.3
|
12.8
|
1.0
|
OD2
|
A:ASP312
|
3.4
|
18.3
|
1.0
|
ZN
|
A:ZN1452
|
3.6
|
19.3
|
1.0
|
OQ1
|
A:KCX147
|
3.8
|
9.7
|
1.0
|
ND1
|
A:HIS60
|
4.1
|
15.8
|
1.0
|
CG
|
A:HIS62
|
4.2
|
9.4
|
1.0
|
ND1
|
A:HIS62
|
4.2
|
8.6
|
1.0
|
CD2
|
A:HIS239
|
4.3
|
11.5
|
1.0
|
CG
|
A:HIS60
|
4.3
|
16.8
|
1.0
|
CB
|
A:ASP312
|
4.3
|
9.2
|
1.0
|
NZ
|
A:KCX147
|
4.4
|
10.8
|
1.0
|
NE2
|
A:HIS239
|
4.4
|
14.1
|
1.0
|
CA
|
A:ASP312
|
4.8
|
13.3
|
1.0
|
CE
|
A:KCX147
|
4.8
|
10.2
|
1.0
|
O
|
A:HOH2123
|
4.9
|
20.7
|
1.0
|
SD
|
A:MET93
|
5.0
|
25.0
|
1.0
|
|
Zinc binding site 3 out
of 8 in 1gkr
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Zinc Binding Sites List in 1gkr
Zinc binding site 3 out
of 8 in the L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1452
b:19.3
occ:1.00
|
OQ1
|
B:KCX147
|
1.8
|
9.7
|
1.0
|
ND1
|
B:HIS183
|
2.0
|
3.0
|
1.0
|
NE2
|
B:HIS239
|
2.3
|
14.1
|
1.0
|
O
|
B:HOH2129
|
2.7
|
20.7
|
1.0
|
CX
|
B:KCX147
|
2.8
|
12.8
|
1.0
|
CE1
|
B:HIS183
|
2.8
|
6.6
|
1.0
|
OQ2
|
B:KCX147
|
3.1
|
9.2
|
1.0
|
CG
|
B:HIS183
|
3.2
|
8.5
|
1.0
|
CD2
|
B:HIS239
|
3.2
|
11.5
|
1.0
|
CE1
|
B:HIS239
|
3.2
|
9.8
|
1.0
|
O
|
B:HOH2128
|
3.2
|
20.7
|
1.0
|
ZN
|
B:ZN1453
|
3.6
|
17.0
|
1.0
|
CB
|
B:HIS183
|
3.7
|
8.5
|
1.0
|
O
|
B:ALA285
|
3.9
|
20.4
|
1.0
|
NZ
|
B:KCX147
|
4.0
|
10.8
|
1.0
|
NE2
|
B:HIS183
|
4.0
|
8.6
|
1.0
|
CD2
|
B:HIS183
|
4.2
|
3.6
|
1.0
|
ND1
|
B:HIS239
|
4.4
|
10.5
|
1.0
|
CG
|
B:HIS239
|
4.4
|
9.6
|
1.0
|
CE1
|
B:HIS60
|
4.7
|
18.9
|
1.0
|
CA
|
B:HIS183
|
4.7
|
10.0
|
1.0
|
NE2
|
B:HIS60
|
4.9
|
16.8
|
1.0
|
OD2
|
B:ASP312
|
4.9
|
18.3
|
1.0
|
C
|
B:ALA285
|
5.0
|
15.7
|
1.0
|
|
Zinc binding site 4 out
of 8 in 1gkr
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Zinc Binding Sites List in 1gkr
Zinc binding site 4 out
of 8 in the L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1453
b:17.0
occ:1.00
|
NE2
|
B:HIS60
|
2.1
|
16.8
|
1.0
|
OD1
|
B:ASP312
|
2.1
|
12.8
|
1.0
|
NE2
|
B:HIS62
|
2.1
|
10.4
|
1.0
|
OQ2
|
B:KCX147
|
2.2
|
9.2
|
1.0
|
O
|
B:HOH2129
|
2.5
|
20.7
|
1.0
|
CE1
|
B:HIS60
|
2.9
|
18.9
|
1.0
|
CD2
|
B:HIS62
|
3.1
|
11.2
|
1.0
|
CG
|
B:ASP312
|
3.1
|
14.0
|
1.0
|
CE1
|
B:HIS62
|
3.1
|
9.4
|
1.0
|
CD2
|
B:HIS60
|
3.2
|
18.0
|
1.0
|
CX
|
B:KCX147
|
3.3
|
12.8
|
1.0
|
OD2
|
B:ASP312
|
3.4
|
18.3
|
1.0
|
ZN
|
B:ZN1452
|
3.6
|
19.3
|
1.0
|
OQ1
|
B:KCX147
|
3.8
|
9.7
|
1.0
|
ND1
|
B:HIS60
|
4.1
|
15.8
|
1.0
|
CG
|
B:HIS62
|
4.2
|
9.4
|
1.0
|
ND1
|
B:HIS62
|
4.2
|
8.6
|
1.0
|
CD2
|
B:HIS239
|
4.3
|
11.5
|
1.0
|
CG
|
B:HIS60
|
4.3
|
16.8
|
1.0
|
CB
|
B:ASP312
|
4.3
|
9.2
|
1.0
|
NZ
|
B:KCX147
|
4.4
|
10.8
|
1.0
|
NE2
|
B:HIS239
|
4.4
|
14.1
|
1.0
|
CA
|
B:ASP312
|
4.8
|
13.3
|
1.0
|
CE
|
B:KCX147
|
4.8
|
10.2
|
1.0
|
O
|
B:HOH2128
|
4.9
|
20.7
|
1.0
|
SD
|
B:MET93
|
5.0
|
25.0
|
1.0
|
|
Zinc binding site 5 out
of 8 in 1gkr
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Zinc Binding Sites List in 1gkr
Zinc binding site 5 out
of 8 in the L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn1452
b:19.3
occ:1.00
|
OQ1
|
C:KCX147
|
1.8
|
9.7
|
1.0
|
ND1
|
C:HIS183
|
2.0
|
3.0
|
1.0
|
NE2
|
C:HIS239
|
2.3
|
14.1
|
1.0
|
O
|
C:HOH2128
|
2.7
|
20.7
|
1.0
|
CX
|
C:KCX147
|
2.8
|
12.8
|
1.0
|
CE1
|
C:HIS183
|
2.8
|
6.6
|
1.0
|
OQ2
|
C:KCX147
|
3.1
|
9.2
|
1.0
|
CG
|
C:HIS183
|
3.2
|
8.5
|
1.0
|
CD2
|
C:HIS239
|
3.2
|
11.5
|
1.0
|
CE1
|
C:HIS239
|
3.2
|
9.8
|
1.0
|
O
|
C:HOH2127
|
3.2
|
20.7
|
1.0
|
ZN
|
C:ZN1453
|
3.6
|
17.0
|
1.0
|
CB
|
C:HIS183
|
3.7
|
8.5
|
1.0
|
O
|
C:ALA285
|
3.9
|
20.4
|
1.0
|
NZ
|
C:KCX147
|
4.0
|
10.8
|
1.0
|
NE2
|
C:HIS183
|
4.0
|
8.6
|
1.0
|
CD2
|
C:HIS183
|
4.2
|
3.6
|
1.0
|
ND1
|
C:HIS239
|
4.4
|
10.5
|
1.0
|
CG
|
C:HIS239
|
4.4
|
9.6
|
1.0
|
CE1
|
C:HIS60
|
4.7
|
18.9
|
1.0
|
CA
|
C:HIS183
|
4.7
|
10.0
|
1.0
|
NE2
|
C:HIS60
|
4.9
|
16.8
|
1.0
|
OD2
|
C:ASP312
|
4.9
|
18.3
|
1.0
|
C
|
C:ALA285
|
5.0
|
15.7
|
1.0
|
|
Zinc binding site 6 out
of 8 in 1gkr
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Zinc Binding Sites List in 1gkr
Zinc binding site 6 out
of 8 in the L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn1453
b:17.0
occ:1.00
|
NE2
|
C:HIS60
|
2.1
|
16.8
|
1.0
|
OD1
|
C:ASP312
|
2.1
|
12.8
|
1.0
|
NE2
|
C:HIS62
|
2.1
|
10.4
|
1.0
|
OQ2
|
C:KCX147
|
2.2
|
9.2
|
1.0
|
O
|
C:HOH2128
|
2.5
|
20.7
|
1.0
|
CE1
|
C:HIS60
|
2.9
|
18.9
|
1.0
|
CD2
|
C:HIS62
|
3.1
|
11.2
|
1.0
|
CG
|
C:ASP312
|
3.1
|
14.0
|
1.0
|
CE1
|
C:HIS62
|
3.1
|
9.4
|
1.0
|
CD2
|
C:HIS60
|
3.2
|
18.0
|
1.0
|
CX
|
C:KCX147
|
3.3
|
12.8
|
1.0
|
OD2
|
C:ASP312
|
3.4
|
18.3
|
1.0
|
ZN
|
C:ZN1452
|
3.6
|
19.3
|
1.0
|
OQ1
|
C:KCX147
|
3.8
|
9.7
|
1.0
|
ND1
|
C:HIS60
|
4.1
|
15.8
|
1.0
|
CG
|
C:HIS62
|
4.2
|
9.4
|
1.0
|
ND1
|
C:HIS62
|
4.2
|
8.6
|
1.0
|
CD2
|
C:HIS239
|
4.3
|
11.5
|
1.0
|
CG
|
C:HIS60
|
4.3
|
16.8
|
1.0
|
CB
|
C:ASP312
|
4.3
|
9.2
|
1.0
|
NZ
|
C:KCX147
|
4.4
|
10.8
|
1.0
|
NE2
|
C:HIS239
|
4.4
|
14.1
|
1.0
|
CA
|
C:ASP312
|
4.8
|
13.3
|
1.0
|
CE
|
C:KCX147
|
4.8
|
10.2
|
1.0
|
O
|
C:HOH2127
|
4.9
|
20.7
|
1.0
|
SD
|
C:MET93
|
5.0
|
25.0
|
1.0
|
|
Zinc binding site 7 out
of 8 in 1gkr
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Zinc Binding Sites List in 1gkr
Zinc binding site 7 out
of 8 in the L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1452
b:19.3
occ:1.00
|
OQ1
|
D:KCX147
|
1.8
|
9.7
|
1.0
|
ND1
|
D:HIS183
|
2.0
|
3.0
|
1.0
|
NE2
|
D:HIS239
|
2.3
|
14.1
|
1.0
|
O
|
D:HOH2127
|
2.7
|
20.7
|
1.0
|
CX
|
D:KCX147
|
2.8
|
12.8
|
1.0
|
CE1
|
D:HIS183
|
2.8
|
6.6
|
1.0
|
OQ2
|
D:KCX147
|
3.1
|
9.2
|
1.0
|
CG
|
D:HIS183
|
3.2
|
8.5
|
1.0
|
CD2
|
D:HIS239
|
3.2
|
11.5
|
1.0
|
CE1
|
D:HIS239
|
3.2
|
9.8
|
1.0
|
O
|
D:HOH2126
|
3.2
|
20.7
|
1.0
|
ZN
|
D:ZN1453
|
3.6
|
17.0
|
1.0
|
CB
|
D:HIS183
|
3.7
|
8.5
|
1.0
|
O
|
D:ALA285
|
3.9
|
20.4
|
1.0
|
NZ
|
D:KCX147
|
4.0
|
10.8
|
1.0
|
NE2
|
D:HIS183
|
4.0
|
8.6
|
1.0
|
CD2
|
D:HIS183
|
4.2
|
3.6
|
1.0
|
ND1
|
D:HIS239
|
4.4
|
10.5
|
1.0
|
CG
|
D:HIS239
|
4.4
|
9.6
|
1.0
|
CE1
|
D:HIS60
|
4.7
|
18.9
|
1.0
|
CA
|
D:HIS183
|
4.7
|
10.0
|
1.0
|
NE2
|
D:HIS60
|
4.9
|
16.8
|
1.0
|
OD2
|
D:ASP312
|
4.9
|
18.3
|
1.0
|
C
|
D:ALA285
|
5.0
|
15.7
|
1.0
|
|
Zinc binding site 8 out
of 8 in 1gkr
Go back to
Zinc Binding Sites List in 1gkr
Zinc binding site 8 out
of 8 in the L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of L-Hydantoinase (Dihydropyrimidinase) From Arthrobacter Aurescens within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1453
b:17.0
occ:1.00
|
NE2
|
D:HIS60
|
2.1
|
16.8
|
1.0
|
OD1
|
D:ASP312
|
2.1
|
12.8
|
1.0
|
NE2
|
D:HIS62
|
2.1
|
10.4
|
1.0
|
OQ2
|
D:KCX147
|
2.2
|
9.2
|
1.0
|
O
|
D:HOH2127
|
2.5
|
20.7
|
1.0
|
CE1
|
D:HIS60
|
2.9
|
18.9
|
1.0
|
CD2
|
D:HIS62
|
3.1
|
11.2
|
1.0
|
CG
|
D:ASP312
|
3.1
|
14.0
|
1.0
|
CE1
|
D:HIS62
|
3.1
|
9.4
|
1.0
|
CD2
|
D:HIS60
|
3.2
|
18.0
|
1.0
|
CX
|
D:KCX147
|
3.3
|
12.8
|
1.0
|
OD2
|
D:ASP312
|
3.4
|
18.3
|
1.0
|
ZN
|
D:ZN1452
|
3.6
|
19.3
|
1.0
|
OQ1
|
D:KCX147
|
3.8
|
9.7
|
1.0
|
ND1
|
D:HIS60
|
4.1
|
15.8
|
1.0
|
CG
|
D:HIS62
|
4.2
|
9.4
|
1.0
|
ND1
|
D:HIS62
|
4.2
|
8.6
|
1.0
|
CD2
|
D:HIS239
|
4.3
|
11.5
|
1.0
|
CG
|
D:HIS60
|
4.3
|
16.8
|
1.0
|
CB
|
D:ASP312
|
4.3
|
9.2
|
1.0
|
NZ
|
D:KCX147
|
4.4
|
10.8
|
1.0
|
NE2
|
D:HIS239
|
4.4
|
14.1
|
1.0
|
CA
|
D:ASP312
|
4.8
|
13.3
|
1.0
|
CE
|
D:KCX147
|
4.8
|
10.2
|
1.0
|
O
|
D:HOH2126
|
4.9
|
20.7
|
1.0
|
SD
|
D:MET93
|
5.0
|
25.0
|
1.0
|
|
Reference:
J.Abendroth,
K.Niefind,
O.May,
M.Siemann,
C.Syldatk,
D.Schomburg.
The Structure of L-Hydantoinase From Arthobacter Aurescens Leads to An Understanding of Dihydropyrimidinase Substrate and Enantio Specificity. Biochemistry V. 41 8589 2002.
ISSN: ISSN 0006-2960
PubMed: 12093275
DOI: 10.1021/BI0157722
Page generated: Sun Oct 13 01:38:24 2024
|