Bromine in PDB 3x41: Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
Enzymatic activity of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
All present enzymatic activity of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide:
1.4.3.21;
Protein crystallography data
The structure of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide, PDB code: 3x41
was solved by
T.Okajima,
S.Nakanishi,
T.Murakawa,
M.Kataoka,
H.Hayashi,
A.Hamaguchi,
T.Nakai,
Y.Kawano,
H.Yamaguchi,
K.Tanizawa,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
31.88 /
1.87
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
191.619,
63.290,
157.851,
90.00,
117.21,
90.00
|
R / Rfree (%)
|
15.1 /
18
|
Other elements in 3x41:
The structure of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide also contains other interesting chemical elements:
Bromine Binding Sites:
The binding sites of Bromine atom in the Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
(pdb code 3x41). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the
Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide, PDB code: 3x41:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Bromine binding site 1 out
of 8 in 3x41
Go back to
Bromine Binding Sites List in 3x41
Bromine binding site 1 out
of 8 in the Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br702
b:23.4
occ:1.00
|
CU
|
A:CU701
|
2.5
|
14.7
|
1.0
|
OX1
|
A:2TY382
|
3.1
|
17.1
|
1.0
|
O
|
A:HOH814
|
3.2
|
15.3
|
1.0
|
NE2
|
A:HIS431
|
3.4
|
16.2
|
1.0
|
CE
|
A:MET602
|
3.5
|
36.8
|
1.0
|
O
|
A:HOH1154
|
3.5
|
36.6
|
1.0
|
NE2
|
A:HIS433
|
3.6
|
15.6
|
1.0
|
ND1
|
A:HIS592
|
3.7
|
14.2
|
1.0
|
CE1
|
A:HIS433
|
3.8
|
17.5
|
1.0
|
CE1
|
A:HIS592
|
3.8
|
17.3
|
1.0
|
CE1
|
A:HIS431
|
3.8
|
16.6
|
1.0
|
CA
|
A:VAL406
|
4.0
|
17.2
|
1.0
|
O
|
A:HOH834
|
4.0
|
17.9
|
1.0
|
CD1
|
A:2TY382
|
4.1
|
16.2
|
1.0
|
CE1
|
A:2TY382
|
4.1
|
14.5
|
1.0
|
SD
|
A:MET602
|
4.2
|
35.4
|
1.0
|
CG1
|
A:VAL406
|
4.4
|
20.2
|
1.0
|
CB
|
A:VAL406
|
4.4
|
21.9
|
1.0
|
CD2
|
A:HIS431
|
4.4
|
13.7
|
1.0
|
N
|
A:PHE407
|
4.5
|
14.1
|
1.0
|
ND2
|
A:ASN381
|
4.5
|
15.3
|
1.0
|
O
|
A:VAL405
|
4.6
|
17.9
|
1.0
|
N
|
A:VAL406
|
4.7
|
14.0
|
1.0
|
C
|
A:VAL406
|
4.8
|
16.9
|
1.0
|
CD2
|
A:HIS433
|
4.9
|
15.9
|
1.0
|
C
|
A:VAL405
|
5.0
|
17.2
|
1.0
|
ND1
|
A:HIS431
|
5.0
|
14.0
|
1.0
|
CG
|
A:HIS592
|
5.0
|
15.2
|
1.0
|
|
Bromine binding site 2 out
of 8 in 3x41
Go back to
Bromine Binding Sites List in 3x41
Bromine binding site 2 out
of 8 in the Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br703
b:59.7
occ:1.00
|
NE2
|
A:HIS345
|
3.1
|
27.3
|
1.0
|
O
|
A:HOH1188
|
3.2
|
43.7
|
1.0
|
OG
|
A:SER374
|
3.2
|
18.5
|
1.0
|
O
|
A:HOH1169
|
3.3
|
34.3
|
1.0
|
O
|
A:HOH898
|
3.6
|
26.2
|
1.0
|
CE2
|
A:TYR387
|
3.7
|
17.4
|
1.0
|
CD2
|
A:HIS345
|
3.7
|
24.3
|
1.0
|
O
|
A:HOH1301
|
3.8
|
28.1
|
1.0
|
SG
|
A:CYS317
|
4.0
|
30.1
|
1.0
|
CG1
|
A:VAL372
|
4.0
|
14.8
|
1.0
|
CB
|
A:SER374
|
4.2
|
13.8
|
1.0
|
CE1
|
A:HIS345
|
4.2
|
29.0
|
1.0
|
CD2
|
A:TYR387
|
4.3
|
14.0
|
1.0
|
CB
|
A:CYS343
|
4.4
|
20.4
|
1.0
|
O
|
A:ASP316
|
4.6
|
25.7
|
1.0
|
CB
|
A:CYS317
|
4.6
|
29.6
|
1.0
|
CA
|
A:CYS317
|
4.8
|
26.2
|
1.0
|
CZ
|
A:TYR387
|
4.8
|
16.4
|
1.0
|
OH
|
A:TYR387
|
4.9
|
17.7
|
1.0
|
CB
|
A:VAL372
|
5.0
|
15.3
|
1.0
|
CG
|
A:HIS345
|
5.0
|
22.9
|
1.0
|
|
Bromine binding site 3 out
of 8 in 3x41
Go back to
Bromine Binding Sites List in 3x41
Bromine binding site 3 out
of 8 in the Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br704
b:63.1
occ:1.00
|
N
|
A:GLU36
|
3.3
|
26.8
|
1.0
|
CB
|
A:GLU36
|
3.5
|
31.7
|
1.0
|
O
|
A:HOH1137
|
3.5
|
44.2
|
1.0
|
CA
|
A:GLY34
|
3.6
|
26.5
|
1.0
|
C
|
A:GLY34
|
3.6
|
26.5
|
1.0
|
N
|
A:PRO35
|
3.7
|
26.7
|
1.0
|
CD
|
A:PRO35
|
3.7
|
27.5
|
1.0
|
CG
|
A:GLU36
|
3.7
|
41.0
|
1.0
|
CA
|
A:GLU36
|
3.9
|
28.9
|
1.0
|
O
|
A:HOH1045
|
4.0
|
32.0
|
1.0
|
O
|
A:GLY34
|
4.2
|
25.5
|
1.0
|
CG
|
A:PRO35
|
4.2
|
29.5
|
1.0
|
N
|
A:GLY34
|
4.3
|
22.9
|
1.0
|
CG
|
A:LYS37
|
4.3
|
23.9
|
1.0
|
C
|
A:PRO35
|
4.3
|
27.2
|
1.0
|
N
|
A:LYS37
|
4.4
|
21.4
|
1.0
|
C
|
A:GLU36
|
4.4
|
20.9
|
1.0
|
CA
|
A:PRO35
|
4.5
|
27.6
|
1.0
|
CD
|
A:LYS37
|
4.5
|
25.4
|
1.0
|
CE
|
A:LYS37
|
4.6
|
32.8
|
1.0
|
OD2
|
A:ASP66
|
4.7
|
29.9
|
1.0
|
NZ
|
A:LYS37
|
4.9
|
36.1
|
1.0
|
|
Bromine binding site 4 out
of 8 in 3x41
Go back to
Bromine Binding Sites List in 3x41
Bromine binding site 4 out
of 8 in the Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br702
b:22.3
occ:1.00
|
CU
|
B:CU701
|
2.5
|
14.0
|
1.0
|
OX1
|
B:2TY382
|
3.1
|
12.4
|
1.0
|
O
|
B:HOH822
|
3.1
|
12.1
|
1.0
|
CE
|
B:MET602
|
3.3
|
35.9
|
1.0
|
NE2
|
B:HIS431
|
3.4
|
15.2
|
1.0
|
O
|
B:HOH1149
|
3.5
|
38.4
|
1.0
|
NE2
|
B:HIS433
|
3.6
|
12.2
|
1.0
|
ND1
|
B:HIS592
|
3.7
|
13.0
|
1.0
|
CE1
|
B:HIS433
|
3.8
|
13.2
|
1.0
|
CE1
|
B:HIS431
|
3.9
|
12.3
|
1.0
|
CE1
|
B:HIS592
|
3.9
|
17.1
|
1.0
|
O
|
B:HOH873
|
4.0
|
16.0
|
1.0
|
CA
|
B:VAL406
|
4.0
|
13.9
|
0.6
|
CA
|
B:VAL406
|
4.1
|
13.9
|
0.4
|
CD1
|
B:2TY382
|
4.1
|
10.9
|
1.0
|
CE1
|
B:2TY382
|
4.1
|
12.3
|
1.0
|
CG1
|
B:VAL406
|
4.2
|
14.1
|
0.6
|
CG2
|
B:VAL406
|
4.2
|
14.4
|
0.4
|
SD
|
B:MET602
|
4.2
|
35.3
|
1.0
|
CB
|
B:VAL406
|
4.4
|
14.6
|
0.6
|
CD2
|
B:HIS431
|
4.5
|
14.5
|
1.0
|
N
|
B:PHE407
|
4.5
|
13.7
|
1.0
|
CB
|
B:VAL406
|
4.6
|
14.4
|
0.4
|
ND2
|
B:ASN381
|
4.6
|
12.6
|
1.0
|
O
|
B:VAL405
|
4.6
|
14.1
|
1.0
|
CG1
|
B:VAL406
|
4.7
|
12.7
|
0.4
|
N
|
B:VAL406
|
4.8
|
15.0
|
0.6
|
N
|
B:VAL406
|
4.8
|
14.6
|
0.4
|
C
|
B:VAL406
|
4.8
|
13.8
|
0.6
|
C
|
B:VAL406
|
4.9
|
13.6
|
0.4
|
CD2
|
B:HIS433
|
4.9
|
12.7
|
1.0
|
OH
|
B:TYR284
|
5.0
|
13.9
|
1.0
|
C
|
B:VAL405
|
5.0
|
13.4
|
1.0
|
ND1
|
B:HIS431
|
5.0
|
14.0
|
1.0
|
|
Bromine binding site 5 out
of 8 in 3x41
Go back to
Bromine Binding Sites List in 3x41
Bromine binding site 5 out
of 8 in the Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br703
b:28.5
occ:1.00
|
OG
|
B:SER529
|
3.3
|
15.8
|
1.0
|
NH1
|
B:ARG532
|
3.5
|
22.9
|
1.0
|
NE
|
B:ARG532
|
3.5
|
20.8
|
1.0
|
CA
|
B:SER562
|
3.7
|
17.1
|
1.0
|
CB
|
B:SER562
|
3.7
|
20.4
|
1.0
|
CZ
|
B:ARG532
|
3.9
|
25.1
|
1.0
|
N
|
B:GLY563
|
4.0
|
15.2
|
1.0
|
CB
|
B:SER529
|
4.0
|
11.9
|
1.0
|
CG
|
B:ARG533
|
4.0
|
11.4
|
1.0
|
CA
|
B:SER529
|
4.1
|
14.2
|
1.0
|
CD
|
B:ARG533
|
4.2
|
13.0
|
1.0
|
CB
|
B:VAL141
|
4.3
|
18.0
|
1.0
|
O
|
B:HOH946
|
4.3
|
23.3
|
1.0
|
O
|
B:SER529
|
4.3
|
13.5
|
1.0
|
C
|
B:SER562
|
4.3
|
15.2
|
1.0
|
CG1
|
B:VAL141
|
4.4
|
22.0
|
1.0
|
O
|
B:VAL141
|
4.6
|
19.3
|
1.0
|
CD
|
B:ARG532
|
4.7
|
19.1
|
1.0
|
CB
|
B:ARG532
|
4.7
|
12.4
|
1.0
|
C
|
B:SER529
|
4.7
|
15.9
|
1.0
|
N
|
B:SER562
|
4.9
|
15.0
|
1.0
|
CG2
|
B:VAL141
|
4.9
|
17.9
|
1.0
|
|
Bromine binding site 6 out
of 8 in 3x41
Go back to
Bromine Binding Sites List in 3x41
Bromine binding site 6 out
of 8 in the Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br704
b:60.0
occ:1.00
|
CE1
|
B:HIS345
|
3.1
|
23.2
|
1.0
|
O
|
B:HOH962
|
3.1
|
29.1
|
1.0
|
OG
|
B:SER374
|
3.2
|
17.0
|
1.0
|
O
|
B:HOH1224
|
3.4
|
40.5
|
1.0
|
O
|
B:HOH1101
|
3.4
|
38.7
|
1.0
|
O
|
B:HOH1015
|
3.6
|
26.2
|
1.0
|
O
|
B:HOH976
|
3.7
|
30.6
|
1.0
|
ND1
|
B:HIS345
|
3.8
|
24.2
|
1.0
|
CE2
|
B:TYR387
|
3.8
|
15.0
|
1.0
|
NE2
|
B:HIS345
|
4.1
|
27.6
|
1.0
|
SG
|
B:CYS317
|
4.1
|
27.5
|
1.0
|
CG1
|
B:VAL372
|
4.1
|
13.7
|
1.0
|
CB
|
B:SER374
|
4.2
|
13.9
|
1.0
|
CD2
|
B:TYR387
|
4.4
|
14.1
|
1.0
|
CB
|
B:CYS343
|
4.4
|
24.8
|
1.0
|
O
|
B:ASP316
|
4.6
|
26.4
|
1.0
|
CB
|
B:CYS317
|
4.6
|
28.8
|
1.0
|
CA
|
B:CYS317
|
4.7
|
24.2
|
1.0
|
CZ
|
B:TYR387
|
4.9
|
13.6
|
1.0
|
CB
|
B:VAL372
|
5.0
|
14.8
|
1.0
|
OH
|
B:TYR387
|
5.0
|
17.2
|
1.0
|
|
Bromine binding site 7 out
of 8 in 3x41
Go back to
Bromine Binding Sites List in 3x41
Bromine binding site 7 out
of 8 in the Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br705
b:67.0
occ:1.00
|
N
|
B:ASP128
|
3.3
|
25.3
|
1.0
|
CA
|
B:LEU127
|
3.8
|
24.4
|
1.0
|
CB
|
B:ASP128
|
4.0
|
31.1
|
1.0
|
CD2
|
B:LEU127
|
4.0
|
23.3
|
1.0
|
C
|
B:LEU127
|
4.0
|
24.5
|
1.0
|
CG1
|
B:VAL159
|
4.1
|
21.5
|
1.0
|
CD
|
B:LYS131
|
4.1
|
38.7
|
1.0
|
CA
|
B:ASP128
|
4.2
|
26.8
|
1.0
|
CB
|
B:LEU127
|
4.3
|
24.5
|
1.0
|
O
|
B:ASN126
|
4.4
|
26.7
|
1.0
|
CB
|
B:LYS131
|
4.5
|
24.5
|
1.0
|
O
|
B:ASP128
|
4.5
|
23.6
|
1.0
|
O
|
B:HOH1259
|
4.6
|
47.1
|
0.5
|
CG
|
B:LYS131
|
4.7
|
32.9
|
1.0
|
C1
|
B:GOL712
|
4.8
|
53.0
|
1.0
|
CG
|
B:LEU127
|
4.8
|
22.9
|
1.0
|
C
|
B:ASP128
|
4.9
|
24.8
|
1.0
|
N
|
B:LEU127
|
4.9
|
25.3
|
1.0
|
|
Bromine binding site 8 out
of 8 in 3x41
Go back to
Bromine Binding Sites List in 3x41
Bromine binding site 8 out
of 8 in the Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of Copper Amine Oxidase From Arthrobacter Globiformis: Product Schiff- Base Form Produced By Anaerobic Reduction in the Presence of Sodium Bromide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br706
b:59.7
occ:1.00
|
N
|
B:GLU36
|
3.2
|
16.5
|
1.0
|
CB
|
B:GLU36
|
3.3
|
22.2
|
1.0
|
CG
|
B:GLU36
|
3.5
|
33.6
|
1.0
|
C
|
B:GLY34
|
3.5
|
17.6
|
1.0
|
CA
|
B:GLY34
|
3.5
|
16.9
|
1.0
|
N
|
B:PRO35
|
3.6
|
18.2
|
1.0
|
CD
|
B:PRO35
|
3.7
|
17.6
|
1.0
|
CA
|
B:GLU36
|
3.7
|
17.1
|
1.0
|
O
|
B:HOH1037
|
3.8
|
27.5
|
1.0
|
O
|
B:GLY34
|
4.0
|
16.4
|
1.0
|
CG
|
B:LYS37
|
4.1
|
15.1
|
1.0
|
N
|
B:GLY34
|
4.1
|
16.6
|
1.0
|
N
|
B:LYS37
|
4.2
|
15.1
|
1.0
|
O
|
B:HOH1132
|
4.3
|
45.0
|
1.0
|
C
|
B:PRO35
|
4.3
|
18.6
|
1.0
|
CE
|
B:LYS37
|
4.3
|
22.8
|
1.0
|
C
|
B:GLU36
|
4.3
|
16.6
|
1.0
|
CG
|
B:PRO35
|
4.4
|
23.5
|
1.0
|
CA
|
B:PRO35
|
4.5
|
18.9
|
1.0
|
CD
|
B:LYS37
|
4.6
|
17.8
|
1.0
|
CD
|
B:GLU36
|
4.9
|
47.1
|
1.0
|
|
Reference:
T.Murakawa,
A.Hamaguchi,
S.Nakanishi,
M.Kataoka,
T.Nakai,
Y.Kawano,
H.Yamaguchi,
H.Hayashi,
K.Tanizawa,
T.Okajima.
Probing the Catalytic Mechanism of Copper Amine Oxidase From Arthrobacter Globiformis with Halide Ions J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
DOI: 10.1074/JBC.M115.662726
Page generated: Wed Jul 10 20:42:09 2024
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