Iodine in PDB 2noo: Crystal Structure of Mutant Nika
Enzymatic activity of Crystal Structure of Mutant Nika
All present enzymatic activity of Crystal Structure of Mutant Nika:
3.6.3.24;
Protein crystallography data
The structure of Crystal Structure of Mutant Nika, PDB code: 2noo
was solved by
C.Addy,
M.Ohara,
F.Kawai,
A.Kidera,
M.Ikeguchi,
S.Fuchigami,
M.Osawa,
I.Shimada,
S.Y.Park,
J.R.H.Tame,
J.G.Heddle,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.82 /
1.65
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
43.470,
92.248,
116.383,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.7 /
21
|
Other elements in 2noo:
The structure of Crystal Structure of Mutant Nika also contains other interesting chemical elements:
Iodine Binding Sites:
The binding sites of Iodine atom in the Crystal Structure of Mutant Nika
(pdb code 2noo). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the
Crystal Structure of Mutant Nika, PDB code: 2noo:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
Iodine binding site 1 out
of 6 in 2noo
Go back to
Iodine Binding Sites List in 2noo
Iodine binding site 1 out
of 6 in the Crystal Structure of Mutant Nika
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Crystal Structure of Mutant Nika within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I300
b:23.7
occ:0.50
|
I1
|
A:TYI300
|
0.0
|
23.7
|
0.5
|
CE1
|
A:TYI300
|
2.1
|
21.4
|
1.0
|
CZ
|
A:TYI300
|
2.9
|
20.4
|
1.0
|
OH
|
A:TYI300
|
3.0
|
22.4
|
1.0
|
CD1
|
A:TYI300
|
3.1
|
20.7
|
1.0
|
O
|
A:GLU444
|
3.3
|
25.4
|
1.0
|
CB
|
A:ARG447
|
4.0
|
22.2
|
1.0
|
CB
|
A:GLU444
|
4.0
|
27.2
|
1.0
|
CD
|
A:GLU444
|
4.0
|
36.5
|
1.0
|
N
|
A:GLN448
|
4.0
|
18.7
|
1.0
|
C
|
A:GLU444
|
4.1
|
25.9
|
1.0
|
CA
|
A:GLU444
|
4.1
|
26.2
|
1.0
|
CG
|
A:GLU444
|
4.2
|
31.4
|
1.0
|
OE2
|
A:GLU444
|
4.2
|
38.5
|
1.0
|
CB
|
A:GLN448
|
4.2
|
17.9
|
1.0
|
NE
|
A:ARG447
|
4.3
|
31.8
|
1.0
|
CE2
|
A:TYI300
|
4.3
|
20.6
|
1.0
|
CG
|
A:TYI300
|
4.4
|
18.4
|
1.0
|
OE1
|
A:GLU444
|
4.4
|
39.6
|
1.0
|
CA
|
A:GLN448
|
4.5
|
17.5
|
1.0
|
CG
|
A:ARG447
|
4.5
|
25.5
|
1.0
|
NH2
|
A:ARG447
|
4.6
|
32.0
|
1.0
|
C
|
A:ARG447
|
4.7
|
20.0
|
1.0
|
CD2
|
A:TYI300
|
4.9
|
20.4
|
1.0
|
CZ
|
A:ARG447
|
4.9
|
31.5
|
1.0
|
CA
|
A:ARG447
|
4.9
|
21.6
|
1.0
|
|
Iodine binding site 2 out
of 6 in 2noo
Go back to
Iodine Binding Sites List in 2noo
Iodine binding site 2 out
of 6 in the Crystal Structure of Mutant Nika
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Crystal Structure of Mutant Nika within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I300
b:24.2
occ:0.50
|
I2
|
A:TYI300
|
0.0
|
24.2
|
0.5
|
CE2
|
A:TYI300
|
2.1
|
20.6
|
1.0
|
CD2
|
A:TYI300
|
3.0
|
20.4
|
1.0
|
CZ
|
A:TYI300
|
3.1
|
20.4
|
1.0
|
OH
|
A:TYI300
|
3.3
|
22.4
|
1.0
|
OE1
|
A:GLN131
|
3.7
|
28.7
|
1.0
|
CB
|
A:PRO299
|
3.9
|
15.8
|
1.0
|
NE2
|
A:GLN131
|
4.0
|
29.0
|
1.0
|
CD
|
A:GLN131
|
4.1
|
25.2
|
1.0
|
O
|
A:GLY44
|
4.1
|
15.7
|
1.0
|
CG
|
A:TYI300
|
4.3
|
18.4
|
1.0
|
CE1
|
A:TYI300
|
4.4
|
21.4
|
1.0
|
O
|
A:HOH1606
|
4.5
|
36.8
|
1.0
|
CA
|
A:GLY44
|
4.7
|
15.7
|
1.0
|
C
|
A:GLY44
|
4.7
|
14.9
|
1.0
|
CG
|
A:PRO299
|
4.8
|
14.8
|
1.0
|
CD1
|
A:TYI300
|
4.9
|
20.7
|
1.0
|
CD
|
A:PRO404
|
5.0
|
16.5
|
1.0
|
|
Iodine binding site 3 out
of 6 in 2noo
Go back to
Iodine Binding Sites List in 2noo
Iodine binding site 3 out
of 6 in the Crystal Structure of Mutant Nika
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Crystal Structure of Mutant Nika within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I382
b:27.4
occ:0.50
|
I1
|
A:TYI382
|
0.0
|
27.4
|
0.5
|
CE1
|
A:TYI382
|
2.1
|
17.1
|
1.0
|
CD1
|
A:TYI382
|
3.0
|
18.9
|
1.0
|
CZ
|
A:TYI382
|
3.0
|
19.2
|
1.0
|
OH
|
A:TYI382
|
3.3
|
20.3
|
1.0
|
CG
|
A:TYI382
|
4.3
|
15.9
|
1.0
|
CE2
|
A:TYI382
|
4.4
|
16.1
|
1.0
|
CD2
|
A:TYI382
|
4.9
|
16.7
|
1.0
|
|
Iodine binding site 4 out
of 6 in 2noo
Go back to
Iodine Binding Sites List in 2noo
Iodine binding site 4 out
of 6 in the Crystal Structure of Mutant Nika
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Crystal Structure of Mutant Nika within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I382
b:16.3
occ:1.00
|
I2
|
A:TYI382
|
0.0
|
16.3
|
1.0
|
CE2
|
A:TYI382
|
2.1
|
16.1
|
1.0
|
CZ
|
A:TYI382
|
3.0
|
19.2
|
1.0
|
CD2
|
A:TYI382
|
3.0
|
16.7
|
1.0
|
OH
|
A:TYI382
|
3.1
|
20.3
|
1.0
|
CD
|
A:ARG386
|
4.0
|
12.9
|
1.0
|
CG
|
A:TYI382
|
4.3
|
15.9
|
1.0
|
CE1
|
A:TYI382
|
4.3
|
17.1
|
1.0
|
NE
|
A:ARG386
|
4.4
|
11.3
|
1.0
|
NH1
|
A:ARG386
|
4.7
|
10.6
|
1.0
|
CZ
|
A:ARG386
|
4.8
|
11.1
|
1.0
|
CD1
|
A:TYI382
|
4.9
|
18.9
|
1.0
|
|
Iodine binding site 5 out
of 6 in 2noo
Go back to
Iodine Binding Sites List in 2noo
Iodine binding site 5 out
of 6 in the Crystal Structure of Mutant Nika
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Crystal Structure of Mutant Nika within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I1271
b:35.0
occ:0.70
|
O
|
A:HOH1318
|
1.8
|
10.2
|
0.8
|
CE1
|
A:TYR271
|
2.2
|
18.7
|
1.0
|
OH
|
A:TYR271
|
2.9
|
20.4
|
1.0
|
CZ
|
A:TYR271
|
2.9
|
17.4
|
1.0
|
CD1
|
A:TYR271
|
3.2
|
18.5
|
1.0
|
O
|
A:HOH1628
|
3.2
|
48.3
|
1.0
|
OG
|
A:SER308
|
3.9
|
22.8
|
1.0
|
CB
|
A:GLU267
|
3.9
|
10.0
|
1.0
|
CG
|
A:GLU267
|
4.0
|
10.8
|
1.0
|
CD
|
A:GLU267
|
4.0
|
13.0
|
1.0
|
CE2
|
A:TYR271
|
4.2
|
14.6
|
1.0
|
OE2
|
A:GLU267
|
4.3
|
16.4
|
1.0
|
O
|
A:HOH1483
|
4.3
|
25.7
|
1.0
|
CD1
|
A:LEU318
|
4.4
|
16.6
|
1.0
|
CG
|
A:TYR271
|
4.5
|
13.6
|
1.0
|
OE1
|
A:GLU267
|
4.5
|
17.0
|
1.0
|
CA
|
A:GLU267
|
4.5
|
9.8
|
1.0
|
O
|
A:GLU267
|
4.5
|
10.8
|
1.0
|
O
|
A:HOH1626
|
4.7
|
43.0
|
1.0
|
CB
|
A:SER308
|
4.8
|
20.7
|
1.0
|
C
|
A:GLU267
|
4.8
|
10.3
|
1.0
|
CD2
|
A:TYR271
|
4.8
|
15.3
|
1.0
|
|
Iodine binding site 6 out
of 6 in 2noo
Go back to
Iodine Binding Sites List in 2noo
Iodine binding site 6 out
of 6 in the Crystal Structure of Mutant Nika
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of Crystal Structure of Mutant Nika within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I1284
b:26.4
occ:0.50
|
CE1
|
A:TYR284
|
2.4
|
25.0
|
1.0
|
CD1
|
A:TYR284
|
3.2
|
22.1
|
1.0
|
CZ
|
A:TYR284
|
3.4
|
23.0
|
1.0
|
OH
|
A:TYR284
|
3.5
|
24.0
|
1.0
|
O
|
A:ALA282
|
3.7
|
18.4
|
1.0
|
O
|
A:HOH1615
|
3.7
|
40.1
|
1.0
|
CB
|
A:LEU226
|
4.1
|
24.3
|
1.0
|
N
|
A:ASP227
|
4.3
|
23.3
|
1.0
|
OD2
|
A:ASP227
|
4.5
|
25.4
|
1.0
|
CG
|
A:TYR284
|
4.5
|
19.6
|
1.0
|
CE2
|
A:TYR284
|
4.6
|
22.9
|
1.0
|
CB
|
A:ASP227
|
4.7
|
23.9
|
1.0
|
N
|
A:LEU226
|
4.7
|
23.8
|
1.0
|
C
|
A:ALA282
|
4.8
|
17.5
|
1.0
|
CG
|
A:ASP227
|
4.8
|
26.3
|
1.0
|
CA
|
A:LEU226
|
4.8
|
24.1
|
1.0
|
CD1
|
A:LEU226
|
4.9
|
26.9
|
1.0
|
CG
|
A:LEU226
|
4.9
|
26.6
|
1.0
|
C
|
A:LEU226
|
5.0
|
23.4
|
1.0
|
|
Reference:
C.Addy,
M.Ohara,
F.Kawai,
A.Kidera,
M.Ikeguchi,
S.Fuchigami,
M.Osawa,
I.Shimada,
S.Y.Park,
J.R.Tame,
J.G.Heddle.
Nickel Binding to Nika: An Additional Binding Site Reconciles Spectroscopy, Calorimetry and Crystallography. Acta Crystallogr.,Sect.D V. 63 221 2007.
ISSN: ISSN 0907-4449
PubMed: 17242515
DOI: 10.1107/S0907444906048712
Page generated: Sun Aug 11 14:08:06 2024
|