Iron in PDB 2tmd: Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
Enzymatic activity of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
All present enzymatic activity of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase:
1.5.99.7;
Protein crystallography data
The structure of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase, PDB code: 2tmd
was solved by
F.S.Mathews,
L.W.Lim,
S.White,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
10.00 /
2.40
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
147.750,
71.950,
83.820,
90.00,
97.69,
90.00
|
R / Rfree (%)
|
15.4 /
n/a
|
Iron Binding Sites:
The binding sites of Iron atom in the Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
(pdb code 2tmd). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase, PDB code: 2tmd:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 2tmd
Go back to
Iron Binding Sites List in 2tmd
Iron binding site 1 out
of 8 in the Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:12.1
occ:1.00
|
FE1
|
A:SF4801
|
0.0
|
12.1
|
1.0
|
SG
|
A:CYS345
|
2.3
|
7.9
|
1.0
|
S2
|
A:SF4801
|
2.3
|
12.7
|
1.0
|
S4
|
A:SF4801
|
2.3
|
14.2
|
1.0
|
S3
|
A:SF4801
|
2.3
|
13.5
|
1.0
|
FE4
|
A:SF4801
|
2.7
|
14.9
|
1.0
|
FE3
|
A:SF4801
|
2.7
|
13.4
|
1.0
|
FE2
|
A:SF4801
|
2.8
|
18.3
|
1.0
|
CB
|
A:CYS345
|
3.4
|
13.1
|
1.0
|
CA
|
A:CYS345
|
3.8
|
11.6
|
1.0
|
S1
|
A:SF4801
|
3.9
|
13.5
|
1.0
|
N
|
A:ILE346
|
4.0
|
10.1
|
1.0
|
N
|
A:GLY347
|
4.1
|
10.8
|
1.0
|
CB
|
A:ARG322
|
4.1
|
3.6
|
1.0
|
C
|
A:CYS345
|
4.3
|
10.2
|
1.0
|
CD
|
A:ARG322
|
4.4
|
7.7
|
1.0
|
O
|
A:ARG322
|
4.4
|
10.9
|
1.0
|
CB
|
A:ALA326
|
4.5
|
7.5
|
1.0
|
CA
|
A:GLY347
|
4.7
|
8.0
|
1.0
|
SG
|
A:CYS364
|
4.7
|
10.9
|
1.0
|
CG
|
A:ARG322
|
4.7
|
6.1
|
1.0
|
C
|
A:ARG322
|
4.8
|
7.1
|
1.0
|
N
|
A:CYS348
|
4.8
|
6.8
|
1.0
|
SG
|
A:CYS351
|
4.9
|
8.2
|
1.0
|
CA
|
A:ARG322
|
4.9
|
7.5
|
1.0
|
C
|
A:ILE346
|
5.0
|
11.3
|
1.0
|
|
Iron binding site 2 out
of 8 in 2tmd
Go back to
Iron Binding Sites List in 2tmd
Iron binding site 2 out
of 8 in the Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:18.3
occ:1.00
|
FE2
|
A:SF4801
|
0.0
|
18.3
|
1.0
|
S1
|
A:SF4801
|
2.3
|
13.5
|
1.0
|
S3
|
A:SF4801
|
2.3
|
13.5
|
1.0
|
S4
|
A:SF4801
|
2.3
|
14.2
|
1.0
|
SG
|
A:CYS348
|
2.3
|
11.0
|
1.0
|
FE4
|
A:SF4801
|
2.8
|
14.9
|
1.0
|
FE3
|
A:SF4801
|
2.8
|
13.4
|
1.0
|
FE1
|
A:SF4801
|
2.8
|
12.1
|
1.0
|
N
|
A:CYS348
|
3.7
|
6.8
|
1.0
|
CB
|
A:CYS348
|
3.7
|
6.6
|
1.0
|
N
|
A:ASN349
|
3.8
|
8.3
|
1.0
|
OG1
|
A:THR365
|
4.0
|
11.8
|
1.0
|
S2
|
A:SF4801
|
4.0
|
12.7
|
1.0
|
CA
|
A:CYS348
|
4.1
|
8.0
|
1.0
|
CB
|
A:THR365
|
4.2
|
11.3
|
1.0
|
CG1
|
A:ILE346
|
4.2
|
9.4
|
1.0
|
C
|
A:CYS348
|
4.3
|
9.8
|
1.0
|
N
|
A:VAL350
|
4.3
|
7.5
|
1.0
|
N
|
A:THR365
|
4.4
|
11.5
|
1.0
|
N
|
A:GLY347
|
4.6
|
10.8
|
1.0
|
CA
|
A:ASN349
|
4.7
|
7.0
|
1.0
|
SG
|
A:CYS345
|
4.7
|
7.9
|
1.0
|
SG
|
A:CYS351
|
4.8
|
8.2
|
1.0
|
C
|
A:GLY347
|
4.8
|
10.1
|
1.0
|
SG
|
A:CYS364
|
4.9
|
10.9
|
1.0
|
N
|
A:ILE346
|
4.9
|
10.1
|
1.0
|
N
|
A:CYS351
|
4.9
|
5.9
|
1.0
|
CA
|
A:THR365
|
5.0
|
9.8
|
1.0
|
CD1
|
A:ILE346
|
5.0
|
9.1
|
1.0
|
CB
|
A:VAL350
|
5.0
|
4.5
|
1.0
|
C
|
A:ASN349
|
5.0
|
6.5
|
1.0
|
|
Iron binding site 3 out
of 8 in 2tmd
Go back to
Iron Binding Sites List in 2tmd
Iron binding site 3 out
of 8 in the Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:13.4
occ:1.00
|
FE3
|
A:SF4801
|
0.0
|
13.4
|
1.0
|
S4
|
A:SF4801
|
2.3
|
14.2
|
1.0
|
S1
|
A:SF4801
|
2.3
|
13.5
|
1.0
|
S2
|
A:SF4801
|
2.3
|
12.7
|
1.0
|
SG
|
A:CYS351
|
2.3
|
8.2
|
1.0
|
FE4
|
A:SF4801
|
2.6
|
14.9
|
1.0
|
FE1
|
A:SF4801
|
2.7
|
12.1
|
1.0
|
FE2
|
A:SF4801
|
2.8
|
18.3
|
1.0
|
CB
|
A:CYS351
|
3.4
|
2.3
|
1.0
|
S3
|
A:SF4801
|
3.9
|
13.5
|
1.0
|
N
|
A:CYS351
|
4.0
|
5.9
|
1.0
|
CD
|
A:ARG322
|
4.2
|
7.7
|
1.0
|
CA
|
A:CYS351
|
4.3
|
8.4
|
1.0
|
CG
|
A:ARG322
|
4.4
|
6.1
|
1.0
|
N
|
A:ASN349
|
4.5
|
8.3
|
1.0
|
CB
|
A:ARG322
|
4.5
|
3.6
|
1.0
|
CA
|
A:ASN349
|
4.6
|
7.0
|
1.0
|
SG
|
A:CYS345
|
4.6
|
7.9
|
1.0
|
SG
|
A:CYS364
|
4.7
|
10.9
|
1.0
|
N
|
A:VAL350
|
4.7
|
7.5
|
1.0
|
SG
|
A:CYS348
|
4.8
|
11.0
|
1.0
|
C
|
A:ASN349
|
4.9
|
6.5
|
1.0
|
CG2
|
A:ILE325
|
5.0
|
4.7
|
1.0
|
|
Iron binding site 4 out
of 8 in 2tmd
Go back to
Iron Binding Sites List in 2tmd
Iron binding site 4 out
of 8 in the Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:14.9
occ:1.00
|
FE4
|
A:SF4801
|
0.0
|
14.9
|
1.0
|
S2
|
A:SF4801
|
2.3
|
12.7
|
1.0
|
S1
|
A:SF4801
|
2.3
|
13.5
|
1.0
|
SG
|
A:CYS364
|
2.3
|
10.9
|
1.0
|
S3
|
A:SF4801
|
2.3
|
13.5
|
1.0
|
FE3
|
A:SF4801
|
2.6
|
13.4
|
1.0
|
FE1
|
A:SF4801
|
2.7
|
12.1
|
1.0
|
FE2
|
A:SF4801
|
2.8
|
18.3
|
1.0
|
CB
|
A:CYS364
|
3.4
|
10.3
|
1.0
|
CA
|
A:CYS364
|
3.7
|
12.8
|
1.0
|
N
|
A:THR365
|
3.8
|
11.5
|
1.0
|
S4
|
A:SF4801
|
3.9
|
14.2
|
1.0
|
C
|
A:CYS364
|
4.1
|
11.4
|
1.0
|
N
|
A:GLN366
|
4.3
|
8.8
|
1.0
|
CB
|
A:ALA326
|
4.5
|
7.5
|
1.0
|
CG2
|
A:ILE325
|
4.6
|
4.7
|
1.0
|
CA
|
A:THR365
|
4.7
|
9.8
|
1.0
|
SG
|
A:CYS351
|
4.7
|
8.2
|
1.0
|
CA
|
A:ALA326
|
4.7
|
9.9
|
1.0
|
CB
|
A:GLN366
|
4.8
|
7.1
|
1.0
|
N
|
A:ALA326
|
4.8
|
10.8
|
1.0
|
CB
|
A:THR365
|
4.8
|
11.3
|
1.0
|
SG
|
A:CYS348
|
4.9
|
11.0
|
1.0
|
SG
|
A:CYS345
|
4.9
|
7.9
|
1.0
|
CB
|
A:CYS351
|
5.0
|
2.3
|
1.0
|
|
Iron binding site 5 out
of 8 in 2tmd
Go back to
Iron Binding Sites List in 2tmd
Iron binding site 5 out
of 8 in the Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe801
b:12.3
occ:1.00
|
FE1
|
B:SF4801
|
0.0
|
12.3
|
1.0
|
S2
|
B:SF4801
|
2.3
|
12.5
|
1.0
|
SG
|
B:CYS345
|
2.3
|
10.8
|
1.0
|
S4
|
B:SF4801
|
2.3
|
12.6
|
1.0
|
S3
|
B:SF4801
|
2.4
|
12.4
|
1.0
|
FE4
|
B:SF4801
|
2.6
|
13.4
|
1.0
|
FE3
|
B:SF4801
|
2.6
|
13.0
|
1.0
|
FE2
|
B:SF4801
|
2.8
|
17.4
|
1.0
|
CB
|
B:CYS345
|
3.3
|
13.8
|
1.0
|
CA
|
B:CYS345
|
3.8
|
14.1
|
1.0
|
S1
|
B:SF4801
|
3.9
|
11.7
|
1.0
|
N
|
B:ILE346
|
4.0
|
12.8
|
1.0
|
CB
|
B:ARG322
|
4.1
|
8.6
|
1.0
|
N
|
B:GLY347
|
4.1
|
15.8
|
1.0
|
C
|
B:CYS345
|
4.3
|
13.8
|
1.0
|
O
|
B:ARG322
|
4.4
|
10.3
|
1.0
|
CB
|
B:ALA326
|
4.5
|
4.9
|
1.0
|
CD
|
B:ARG322
|
4.5
|
12.0
|
1.0
|
SG
|
B:CYS364
|
4.7
|
11.9
|
1.0
|
CA
|
B:GLY347
|
4.7
|
10.6
|
1.0
|
C
|
B:ARG322
|
4.7
|
11.1
|
1.0
|
CG
|
B:ARG322
|
4.8
|
8.6
|
1.0
|
CA
|
B:ARG322
|
4.8
|
11.2
|
1.0
|
SG
|
B:CYS351
|
4.9
|
8.2
|
1.0
|
N
|
B:CYS348
|
4.9
|
9.2
|
1.0
|
SG
|
B:CYS348
|
5.0
|
10.2
|
1.0
|
|
Iron binding site 6 out
of 8 in 2tmd
Go back to
Iron Binding Sites List in 2tmd
Iron binding site 6 out
of 8 in the Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe801
b:17.4
occ:1.00
|
FE2
|
B:SF4801
|
0.0
|
17.4
|
1.0
|
S1
|
B:SF4801
|
2.3
|
11.7
|
1.0
|
SG
|
B:CYS348
|
2.3
|
10.2
|
1.0
|
S3
|
B:SF4801
|
2.3
|
12.4
|
1.0
|
S4
|
B:SF4801
|
2.3
|
12.6
|
1.0
|
FE3
|
B:SF4801
|
2.7
|
13.0
|
1.0
|
FE4
|
B:SF4801
|
2.7
|
13.4
|
1.0
|
FE1
|
B:SF4801
|
2.8
|
12.3
|
1.0
|
N
|
B:CYS348
|
3.7
|
9.2
|
1.0
|
CB
|
B:CYS348
|
3.8
|
7.0
|
1.0
|
N
|
B:ASN349
|
3.9
|
8.0
|
1.0
|
S2
|
B:SF4801
|
4.0
|
12.5
|
1.0
|
OG1
|
B:THR365
|
4.1
|
10.4
|
1.0
|
CA
|
B:CYS348
|
4.2
|
8.7
|
1.0
|
CG1
|
B:ILE346
|
4.2
|
9.4
|
1.0
|
CB
|
B:THR365
|
4.3
|
12.4
|
1.0
|
N
|
B:VAL350
|
4.3
|
8.3
|
1.0
|
N
|
B:THR365
|
4.4
|
7.3
|
1.0
|
C
|
B:CYS348
|
4.4
|
10.1
|
1.0
|
N
|
B:GLY347
|
4.6
|
15.8
|
1.0
|
SG
|
B:CYS351
|
4.7
|
8.2
|
1.0
|
SG
|
B:CYS345
|
4.7
|
10.8
|
1.0
|
CA
|
B:ASN349
|
4.7
|
9.5
|
1.0
|
C
|
B:GLY347
|
4.8
|
11.6
|
1.0
|
SG
|
B:CYS364
|
4.8
|
11.9
|
1.0
|
N
|
B:ILE346
|
4.9
|
12.8
|
1.0
|
N
|
B:CYS351
|
4.9
|
7.5
|
1.0
|
CD1
|
B:ILE346
|
4.9
|
8.2
|
1.0
|
CA
|
B:THR365
|
4.9
|
10.1
|
1.0
|
CA
|
B:GLY347
|
5.0
|
10.6
|
1.0
|
|
Iron binding site 7 out
of 8 in 2tmd
Go back to
Iron Binding Sites List in 2tmd
Iron binding site 7 out
of 8 in the Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe801
b:13.0
occ:1.00
|
FE3
|
B:SF4801
|
0.0
|
13.0
|
1.0
|
S4
|
B:SF4801
|
2.3
|
12.6
|
1.0
|
SG
|
B:CYS351
|
2.3
|
8.2
|
1.0
|
S2
|
B:SF4801
|
2.3
|
12.5
|
1.0
|
S1
|
B:SF4801
|
2.3
|
11.7
|
1.0
|
FE1
|
B:SF4801
|
2.6
|
12.3
|
1.0
|
FE4
|
B:SF4801
|
2.7
|
13.4
|
1.0
|
FE2
|
B:SF4801
|
2.7
|
17.4
|
1.0
|
CB
|
B:CYS351
|
3.4
|
6.0
|
1.0
|
S3
|
B:SF4801
|
3.9
|
12.4
|
1.0
|
N
|
B:CYS351
|
4.0
|
7.5
|
1.0
|
CD
|
B:ARG322
|
4.3
|
12.0
|
1.0
|
CA
|
B:CYS351
|
4.3
|
9.1
|
1.0
|
CB
|
B:ARG322
|
4.5
|
8.6
|
1.0
|
CG
|
B:ARG322
|
4.5
|
8.6
|
1.0
|
N
|
B:ASN349
|
4.5
|
8.0
|
1.0
|
SG
|
B:CYS345
|
4.6
|
10.8
|
1.0
|
CA
|
B:ASN349
|
4.6
|
9.5
|
1.0
|
N
|
B:VAL350
|
4.7
|
8.3
|
1.0
|
SG
|
B:CYS348
|
4.7
|
10.2
|
1.0
|
SG
|
B:CYS364
|
4.7
|
11.9
|
1.0
|
C
|
B:ASN349
|
5.0
|
9.6
|
1.0
|
CG2
|
B:ILE325
|
5.0
|
2.0
|
1.0
|
|
Iron binding site 8 out
of 8 in 2tmd
Go back to
Iron Binding Sites List in 2tmd
Iron binding site 8 out
of 8 in the Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe801
b:13.4
occ:1.00
|
FE4
|
B:SF4801
|
0.0
|
13.4
|
1.0
|
S1
|
B:SF4801
|
2.3
|
11.7
|
1.0
|
S2
|
B:SF4801
|
2.3
|
12.5
|
1.0
|
S3
|
B:SF4801
|
2.3
|
12.4
|
1.0
|
SG
|
B:CYS364
|
2.3
|
11.9
|
1.0
|
FE1
|
B:SF4801
|
2.6
|
12.3
|
1.0
|
FE3
|
B:SF4801
|
2.7
|
13.0
|
1.0
|
FE2
|
B:SF4801
|
2.7
|
17.4
|
1.0
|
CB
|
B:CYS364
|
3.5
|
9.1
|
1.0
|
N
|
B:THR365
|
3.8
|
7.3
|
1.0
|
CA
|
B:CYS364
|
3.8
|
9.2
|
1.0
|
S4
|
B:SF4801
|
3.9
|
12.6
|
1.0
|
C
|
B:CYS364
|
4.1
|
10.1
|
1.0
|
N
|
B:GLN366
|
4.2
|
10.8
|
1.0
|
CB
|
B:ALA326
|
4.4
|
4.9
|
1.0
|
CG2
|
B:ILE325
|
4.5
|
2.0
|
1.0
|
SG
|
B:CYS351
|
4.7
|
8.2
|
1.0
|
CA
|
B:ALA326
|
4.7
|
11.2
|
1.0
|
CA
|
B:THR365
|
4.7
|
10.1
|
1.0
|
CB
|
B:GLN366
|
4.7
|
2.0
|
1.0
|
N
|
B:ALA326
|
4.8
|
8.8
|
1.0
|
SG
|
B:CYS348
|
4.8
|
10.2
|
1.0
|
SG
|
B:CYS345
|
4.8
|
10.8
|
1.0
|
CB
|
B:THR365
|
4.9
|
12.4
|
1.0
|
CB
|
B:CYS351
|
4.9
|
6.0
|
1.0
|
C
|
B:THR365
|
5.0
|
11.8
|
1.0
|
|
Reference:
M.J.Barber,
P.J.Neame,
L.W.Lim,
S.White,
F.S.Matthews.
Correlation of X-Ray Deduced and Experimental Amino Acid Sequences of Trimethylamine Dehydrogenase. J.Biol.Chem. V. 267 6611 1992.
ISSN: ISSN 0021-9258
PubMed: 1551870
Page generated: Sun Aug 4 02:19:59 2024
|