Bromine in PDB 3zwx: Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
Enzymatic activity of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
All present enzymatic activity of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose:
3.2.2.5;
Protein crystallography data
The structure of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose, PDB code: 3zwx
was solved by
M.Kotaka,
R.Graeff,
L.H.Zhang,
H.C.Lee,
Q.Hao,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.73 /
2.60
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
60.682,
76.818,
140.333,
87.85,
89.25,
89.12
|
R / Rfree (%)
|
20.289 /
27.148
|
Other elements in 3zwx:
The structure of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose also contains other interesting chemical elements:
Bromine Binding Sites:
The binding sites of Bromine atom in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
(pdb code 3zwx). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the
Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose, PDB code: 3zwx:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Bromine binding site 1 out
of 8 in 3zwx
Go back to
Bromine Binding Sites List in 3zwx
Bromine binding site 1 out
of 8 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
 Mono view
 Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br1682
b:0.1
occ:1.00
|
BR1
|
A:AV11682
|
0.0
|
0.1
|
1.0
|
C8A
|
A:AV11682
|
1.9
|
0.8
|
1.0
|
N7A
|
A:AV11682
|
2.8
|
0.4
|
1.0
|
N9A
|
A:AV11682
|
2.9
|
0.4
|
1.0
|
C1'
|
A:AV11682
|
3.4
|
0.6
|
1.0
|
O
|
A:HOH2025
|
3.8
|
47.9
|
1.0
|
C5A
|
A:AV11682
|
4.0
|
0.0
|
1.0
|
C4A
|
A:AV11682
|
4.0
|
0.6
|
1.0
|
CB
|
A:TYR81
|
4.1
|
39.9
|
1.0
|
O4'
|
A:AV11682
|
4.3
|
0.4
|
1.0
|
O
|
A:HOH2026
|
4.5
|
54.0
|
1.0
|
C2'
|
A:AV11682
|
4.6
|
0.5
|
1.0
|
O2'
|
A:AV11682
|
4.6
|
0.9
|
1.0
|
CG
|
A:TYR81
|
4.8
|
40.0
|
1.0
|
|
Bromine binding site 2 out
of 8 in 3zwx
Go back to
Bromine Binding Sites List in 3zwx
Bromine binding site 2 out
of 8 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
 Mono view
 Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br1682
b:0.7
occ:1.00
|
BR1
|
B:AV11682
|
0.0
|
0.7
|
1.0
|
C8A
|
B:AV11682
|
1.9
|
0.8
|
1.0
|
N7A
|
B:AV11682
|
2.8
|
0.1
|
1.0
|
N9A
|
B:AV11682
|
3.0
|
0.5
|
1.0
|
O4'
|
B:AV11682
|
3.4
|
0.1
|
1.0
|
C1'
|
B:AV11682
|
3.6
|
0.2
|
1.0
|
C5A
|
B:AV11682
|
3.9
|
0.6
|
1.0
|
C4A
|
B:AV11682
|
4.0
|
0.6
|
1.0
|
CB
|
B:TYR81
|
4.3
|
42.2
|
1.0
|
CH2
|
B:TRP77
|
4.6
|
45.4
|
1.0
|
CZ3
|
B:TRP77
|
4.8
|
44.7
|
1.0
|
CD2
|
B:TYR81
|
4.8
|
40.9
|
1.0
|
C4'
|
B:AV11682
|
4.8
|
0.2
|
1.0
|
CG
|
B:TYR81
|
4.8
|
40.2
|
1.0
|
|
Bromine binding site 3 out
of 8 in 3zwx
Go back to
Bromine Binding Sites List in 3zwx
Bromine binding site 3 out
of 8 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
 Mono view
 Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br1682
b:0.5
occ:1.00
|
BR1
|
C:AV11682
|
0.0
|
0.5
|
1.0
|
C8A
|
C:AV11682
|
1.9
|
0.5
|
1.0
|
N7A
|
C:AV11682
|
2.9
|
0.0
|
1.0
|
N9A
|
C:AV11682
|
2.9
|
0.1
|
1.0
|
C1'
|
C:AV11682
|
3.4
|
0.9
|
1.0
|
C5A
|
C:AV11682
|
4.0
|
0.5
|
1.0
|
CB
|
C:TYR81
|
4.0
|
46.7
|
1.0
|
C4A
|
C:AV11682
|
4.0
|
0.4
|
1.0
|
O4'
|
C:AV11682
|
4.2
|
0.4
|
1.0
|
CG
|
C:TYR81
|
4.5
|
44.3
|
1.0
|
C2'
|
C:AV11682
|
4.7
|
0.9
|
1.0
|
O2'
|
C:AV11682
|
4.8
|
0.1
|
1.0
|
CD2
|
C:TYR81
|
4.8
|
43.2
|
1.0
|
C4'
|
C:AV11682
|
4.9
|
0.6
|
1.0
|
|
Bromine binding site 4 out
of 8 in 3zwx
Go back to
Bromine Binding Sites List in 3zwx
Bromine binding site 4 out
of 8 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
 Mono view
 Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Br1682
b:0.9
occ:1.00
|
BR1
|
D:AV11682
|
0.0
|
0.9
|
1.0
|
C8A
|
D:AV11682
|
1.9
|
0.1
|
1.0
|
N7A
|
D:AV11682
|
2.9
|
0.5
|
1.0
|
N9A
|
D:AV11682
|
3.0
|
0.7
|
1.0
|
O4'
|
D:AV11682
|
3.4
|
1.0
|
1.0
|
C1'
|
D:AV11682
|
3.5
|
0.6
|
1.0
|
C5A
|
D:AV11682
|
4.0
|
0.2
|
1.0
|
C4A
|
D:AV11682
|
4.0
|
0.1
|
1.0
|
CB
|
D:TYR81
|
4.1
|
40.9
|
1.0
|
O
|
D:HOH2023
|
4.5
|
40.8
|
1.0
|
CG
|
D:TYR81
|
4.6
|
39.8
|
1.0
|
C4'
|
D:AV11682
|
4.8
|
0.4
|
1.0
|
CD1
|
D:TYR81
|
4.9
|
40.3
|
1.0
|
|
Bromine binding site 5 out
of 8 in 3zwx
Go back to
Bromine Binding Sites List in 3zwx
Bromine binding site 5 out
of 8 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
 Mono view
 Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Br1682
b:0.4
occ:1.00
|
BR1
|
E:AV11682
|
0.0
|
0.4
|
1.0
|
C8A
|
E:AV11682
|
1.9
|
0.1
|
1.0
|
N7A
|
E:AV11682
|
2.9
|
0.8
|
1.0
|
N9A
|
E:AV11682
|
2.9
|
0.2
|
1.0
|
O4'
|
E:AV11682
|
3.3
|
0.7
|
1.0
|
C1'
|
E:AV11682
|
3.4
|
0.1
|
1.0
|
C5A
|
E:AV11682
|
4.0
|
0.6
|
1.0
|
C4A
|
E:AV11682
|
4.0
|
0.8
|
1.0
|
CB
|
E:TYR81
|
4.5
|
42.9
|
1.0
|
C4'
|
E:AV11682
|
4.7
|
0.4
|
1.0
|
C2'
|
E:AV11682
|
4.8
|
0.6
|
1.0
|
|
Bromine binding site 6 out
of 8 in 3zwx
Go back to
Bromine Binding Sites List in 3zwx
Bromine binding site 6 out
of 8 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
 Mono view
 Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Br1682
b:0.0
occ:1.00
|
BR1
|
F:AV11682
|
0.0
|
0.0
|
1.0
|
C8A
|
F:AV11682
|
1.9
|
0.8
|
1.0
|
N7A
|
F:AV11682
|
2.9
|
0.5
|
1.0
|
N9A
|
F:AV11682
|
2.9
|
0.7
|
1.0
|
C1'
|
F:AV11682
|
3.3
|
0.9
|
1.0
|
C5A
|
F:AV11682
|
4.0
|
0.3
|
1.0
|
C4A
|
F:AV11682
|
4.0
|
0.8
|
1.0
|
O4'
|
F:AV11682
|
4.2
|
0.2
|
1.0
|
CB
|
F:TYR81
|
4.6
|
48.9
|
1.0
|
O2'
|
F:AV11682
|
4.6
|
0.5
|
1.0
|
C2'
|
F:AV11682
|
4.6
|
0.2
|
1.0
|
C4'
|
F:AV11682
|
5.0
|
1.0
|
1.0
|
|
Bromine binding site 7 out
of 8 in 3zwx
Go back to
Bromine Binding Sites List in 3zwx
Bromine binding site 7 out
of 8 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
 Mono view
 Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Br1682
b:0.7
occ:1.00
|
BR1
|
G:AV11682
|
0.0
|
0.7
|
1.0
|
C8A
|
G:AV11682
|
1.9
|
0.0
|
1.0
|
N7A
|
G:AV11682
|
2.9
|
0.6
|
1.0
|
N9A
|
G:AV11682
|
2.9
|
0.7
|
1.0
|
C1'
|
G:AV11682
|
3.4
|
0.4
|
1.0
|
C5A
|
G:AV11682
|
4.0
|
0.5
|
1.0
|
C4A
|
G:AV11682
|
4.0
|
0.8
|
1.0
|
O4'
|
G:AV11682
|
4.2
|
0.1
|
1.0
|
CB
|
G:TYR81
|
4.4
|
42.9
|
1.0
|
C2'
|
G:AV11682
|
4.6
|
0.8
|
1.0
|
O2'
|
G:AV11682
|
4.7
|
0.2
|
1.0
|
CG
|
G:TYR81
|
4.9
|
42.0
|
1.0
|
C4'
|
G:AV11682
|
5.0
|
0.1
|
1.0
|
|
Bromine binding site 8 out
of 8 in 3zwx
Go back to
Bromine Binding Sites List in 3zwx
Bromine binding site 8 out
of 8 in the Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose
 Mono view
 Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of Crystal Structure of Adp-Ribosyl Cyclase Complexed with 8- Bromo-Adp-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Br1682
b:0.6
occ:1.00
|
BR1
|
H:AV11682
|
0.0
|
0.6
|
1.0
|
C8A
|
H:AV11682
|
1.9
|
0.7
|
1.0
|
N7A
|
H:AV11682
|
2.8
|
0.7
|
1.0
|
N9A
|
H:AV11682
|
3.0
|
0.1
|
1.0
|
O4'
|
H:AV11682
|
3.6
|
0.7
|
1.0
|
C1'
|
H:AV11682
|
3.7
|
0.3
|
1.0
|
CB
|
H:TYR81
|
3.8
|
47.8
|
1.0
|
C5A
|
H:AV11682
|
3.9
|
0.2
|
1.0
|
C4A
|
H:AV11682
|
4.0
|
0.9
|
1.0
|
CG
|
H:TYR81
|
4.4
|
47.3
|
1.0
|
CD2
|
H:TYR81
|
4.9
|
46.9
|
1.0
|
|
Reference:
M.Kotaka,
R.Graeff,
Z.Chen,
L.H.Zhang,
H.C.Lee,
Q.Hao.
Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. To Be Published.
Page generated: Wed Jul 10 20:43:04 2024
|