Iron in PDB 1tv7: Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Protein crystallography data
The structure of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa, PDB code: 1tv7
was solved by
P.Haenzelmann,
H.Schindelin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.80
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
48.123,
102.438,
191.157,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.7 /
21.1
|
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Iron atom in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
(pdb code 1tv7). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the
Structure of the S-Adenosylmethionine Dependent Enzyme Moaa, PDB code: 1tv7:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 16 in 1tv7
Go back to
Iron Binding Sites List in 1tv7
Iron binding site 1 out
of 16 in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1401
b:38.6
occ:1.00
|
FE1
|
A:SF41401
|
0.0
|
38.6
|
1.0
|
SG
|
A:CYS24
|
2.2
|
31.5
|
1.0
|
S2
|
A:SF41401
|
2.3
|
35.4
|
1.0
|
S3
|
A:SF41401
|
2.3
|
39.1
|
1.0
|
S4
|
A:SF41401
|
2.3
|
38.0
|
1.0
|
FE2
|
A:SF41401
|
2.7
|
39.4
|
1.0
|
FE3
|
A:SF41401
|
2.7
|
37.0
|
1.0
|
FE4
|
A:SF41401
|
2.8
|
39.2
|
1.0
|
CB
|
A:CYS24
|
3.3
|
34.6
|
1.0
|
S1
|
A:SF41401
|
3.9
|
34.6
|
1.0
|
SD
|
A:MET32
|
4.2
|
49.6
|
1.0
|
CB
|
A:PHE26
|
4.2
|
36.7
|
1.0
|
O
|
A:PHE26
|
4.4
|
37.4
|
1.0
|
C
|
A:PHE26
|
4.6
|
38.6
|
1.0
|
N
|
A:PHE26
|
4.6
|
36.8
|
1.0
|
SG
|
A:CYS28
|
4.7
|
42.5
|
1.0
|
CA
|
A:CYS24
|
4.7
|
34.7
|
1.0
|
CA
|
A:PHE26
|
4.7
|
37.3
|
1.0
|
SG
|
A:CYS31
|
4.8
|
47.5
|
1.0
|
CG
|
A:MET32
|
4.8
|
52.5
|
1.0
|
ND2
|
A:ASN104
|
4.9
|
29.2
|
1.0
|
C
|
A:GLY75
|
5.0
|
33.1
|
1.0
|
O
|
A:GLY75
|
5.0
|
33.3
|
1.0
|
O
|
A:HOH1420
|
5.0
|
43.3
|
1.0
|
|
Iron binding site 2 out
of 16 in 1tv7
Go back to
Iron Binding Sites List in 1tv7
Iron binding site 2 out
of 16 in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1401
b:39.4
occ:1.00
|
FE2
|
A:SF41401
|
0.0
|
39.4
|
1.0
|
S3
|
A:SF41401
|
2.2
|
39.1
|
1.0
|
S1
|
A:SF41401
|
2.3
|
34.6
|
1.0
|
S4
|
A:SF41401
|
2.3
|
38.0
|
1.0
|
SG
|
A:CYS31
|
2.3
|
47.5
|
1.0
|
FE4
|
A:SF41401
|
2.6
|
39.2
|
1.0
|
FE3
|
A:SF41401
|
2.6
|
37.0
|
1.0
|
FE1
|
A:SF41401
|
2.7
|
38.6
|
1.0
|
CB
|
A:CYS31
|
3.1
|
51.7
|
1.0
|
S2
|
A:SF41401
|
3.7
|
35.4
|
1.0
|
CG
|
A:MET32
|
4.1
|
52.5
|
1.0
|
SD
|
A:MET32
|
4.4
|
49.6
|
1.0
|
CA
|
A:CYS31
|
4.5
|
52.0
|
1.0
|
N
|
A:MET32
|
4.6
|
53.4
|
1.0
|
SG
|
A:CYS28
|
4.6
|
42.5
|
1.0
|
C
|
A:CYS31
|
4.7
|
52.9
|
1.0
|
CB
|
A:CYS28
|
4.8
|
45.7
|
1.0
|
SG
|
A:CYS24
|
4.8
|
31.5
|
1.0
|
CB
|
A:MET32
|
4.9
|
52.8
|
1.0
|
O
|
A:HOH1420
|
4.9
|
43.3
|
1.0
|
|
Iron binding site 3 out
of 16 in 1tv7
Go back to
Iron Binding Sites List in 1tv7
Iron binding site 3 out
of 16 in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1401
b:37.0
occ:1.00
|
FE3
|
A:SF41401
|
0.0
|
37.0
|
1.0
|
SG
|
A:CYS28
|
2.2
|
42.5
|
1.0
|
S2
|
A:SF41401
|
2.2
|
35.4
|
1.0
|
S4
|
A:SF41401
|
2.3
|
38.0
|
1.0
|
S1
|
A:SF41401
|
2.3
|
34.6
|
1.0
|
FE2
|
A:SF41401
|
2.6
|
39.4
|
1.0
|
FE1
|
A:SF41401
|
2.7
|
38.6
|
1.0
|
FE4
|
A:SF41401
|
2.8
|
39.2
|
1.0
|
CB
|
A:CYS28
|
3.1
|
45.7
|
1.0
|
S3
|
A:SF41401
|
3.9
|
39.1
|
1.0
|
N
|
A:CYS28
|
3.9
|
44.5
|
1.0
|
O3
|
A:SO41403
|
4.0
|
80.1
|
1.0
|
O2
|
A:SO41403
|
4.0
|
76.0
|
1.0
|
CB
|
A:PHE26
|
4.0
|
36.7
|
1.0
|
CA
|
A:CYS28
|
4.1
|
45.4
|
1.0
|
CB
|
A:CYS31
|
4.4
|
51.7
|
1.0
|
CD1
|
A:PHE26
|
4.5
|
36.1
|
1.0
|
S
|
A:SO41403
|
4.6
|
85.5
|
1.0
|
SG
|
A:CYS31
|
4.6
|
47.5
|
1.0
|
SG
|
A:CYS24
|
4.7
|
31.5
|
1.0
|
CG
|
A:PHE26
|
4.8
|
36.3
|
1.0
|
|
Iron binding site 4 out
of 16 in 1tv7
Go back to
Iron Binding Sites List in 1tv7
Iron binding site 4 out
of 16 in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1401
b:39.2
occ:1.00
|
FE4
|
A:SF41401
|
0.0
|
39.2
|
1.0
|
S1
|
A:SF41401
|
2.2
|
34.6
|
1.0
|
S2
|
A:SF41401
|
2.3
|
35.4
|
1.0
|
S3
|
A:SF41401
|
2.3
|
39.1
|
1.0
|
O
|
A:HOH1420
|
2.5
|
43.3
|
1.0
|
FE2
|
A:SF41401
|
2.6
|
39.4
|
1.0
|
FE3
|
A:SF41401
|
2.8
|
37.0
|
1.0
|
FE1
|
A:SF41401
|
2.8
|
38.6
|
1.0
|
S4
|
A:SF41401
|
3.9
|
38.0
|
1.0
|
O2
|
A:SO41403
|
4.2
|
76.0
|
1.0
|
SG
|
A:CYS31
|
4.6
|
47.5
|
1.0
|
SG
|
A:CYS24
|
4.7
|
31.5
|
1.0
|
O3
|
A:SO41403
|
4.8
|
80.1
|
1.0
|
SG
|
A:CYS28
|
4.8
|
42.5
|
1.0
|
O
|
A:GLY75
|
5.0
|
33.3
|
1.0
|
O
|
A:HOH1446
|
5.0
|
74.2
|
1.0
|
S
|
A:SO41403
|
5.0
|
85.5
|
1.0
|
|
Iron binding site 5 out
of 16 in 1tv7
Go back to
Iron Binding Sites List in 1tv7
Iron binding site 5 out
of 16 in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1402
b:32.9
occ:1.00
|
FE1
|
A:SF41402
|
0.0
|
32.9
|
1.0
|
S3
|
A:SF41402
|
2.3
|
33.9
|
1.0
|
S2
|
A:SF41402
|
2.3
|
35.4
|
1.0
|
SG
|
A:CYS261
|
2.3
|
34.1
|
1.0
|
S4
|
A:SF41402
|
2.3
|
34.2
|
1.0
|
FE3
|
A:SF41402
|
2.6
|
35.2
|
1.0
|
FE4
|
A:SF41402
|
2.7
|
38.3
|
1.0
|
FE2
|
A:SF41402
|
2.8
|
34.1
|
1.0
|
CB
|
A:CYS261
|
3.4
|
37.9
|
1.0
|
CA
|
A:CYS261
|
3.6
|
38.3
|
1.0
|
S1
|
A:SF41402
|
3.8
|
33.3
|
1.0
|
N
|
A:CYS261
|
4.1
|
39.9
|
1.0
|
N
|
A:TYR316
|
4.2
|
34.9
|
1.0
|
CA
|
A:ARG315
|
4.3
|
34.2
|
1.0
|
N
|
A:SER317
|
4.4
|
33.8
|
1.0
|
C
|
A:ARG315
|
4.4
|
34.7
|
1.0
|
OG
|
A:SER317
|
4.4
|
36.8
|
1.0
|
CB
|
A:SER317
|
4.6
|
33.8
|
1.0
|
CB
|
A:CYS264
|
4.7
|
32.7
|
1.0
|
SG
|
A:CYS264
|
4.7
|
27.3
|
1.0
|
C
|
A:PHE260
|
4.9
|
42.0
|
1.0
|
SG
|
A:CYS278
|
5.0
|
33.5
|
1.0
|
C
|
A:CYS261
|
5.0
|
37.9
|
1.0
|
|
Iron binding site 6 out
of 16 in 1tv7
Go back to
Iron Binding Sites List in 1tv7
Iron binding site 6 out
of 16 in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1402
b:34.1
occ:1.00
|
FE2
|
A:SF41402
|
0.0
|
34.1
|
1.0
|
S1
|
A:SF41402
|
2.2
|
33.3
|
1.0
|
S4
|
A:SF41402
|
2.3
|
34.2
|
1.0
|
S3
|
A:SF41402
|
2.3
|
33.9
|
1.0
|
SG
|
A:CYS278
|
2.4
|
33.5
|
1.0
|
FE3
|
A:SF41402
|
2.7
|
35.2
|
1.0
|
FE4
|
A:SF41402
|
2.7
|
38.3
|
1.0
|
FE1
|
A:SF41402
|
2.8
|
32.9
|
1.0
|
CB
|
A:CYS278
|
3.4
|
37.4
|
1.0
|
CA
|
A:CYS278
|
3.7
|
37.4
|
1.0
|
N
|
A:LEU279
|
3.9
|
41.8
|
1.0
|
S2
|
A:SF41402
|
3.9
|
35.4
|
1.0
|
C
|
A:CYS278
|
4.3
|
39.7
|
1.0
|
N
|
A:TYR316
|
4.4
|
34.9
|
1.0
|
CB
|
A:TYR316
|
4.6
|
35.3
|
1.0
|
SG
|
A:CYS261
|
4.8
|
34.1
|
1.0
|
O
|
A:GLY277
|
4.8
|
34.3
|
1.0
|
CD1
|
A:PHE280
|
4.8
|
55.4
|
1.0
|
SG
|
A:CYS264
|
4.9
|
27.3
|
1.0
|
CB
|
A:ASP314
|
4.9
|
32.3
|
1.0
|
N
|
A:PHE280
|
5.0
|
46.5
|
1.0
|
N
|
A:CYS278
|
5.0
|
36.4
|
1.0
|
CA
|
A:LEU279
|
5.0
|
43.7
|
1.0
|
|
Iron binding site 7 out
of 16 in 1tv7
Go back to
Iron Binding Sites List in 1tv7
Iron binding site 7 out
of 16 in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1402
b:35.2
occ:1.00
|
FE3
|
A:SF41402
|
0.0
|
35.2
|
1.0
|
S2
|
A:SF41402
|
2.3
|
35.4
|
1.0
|
S1
|
A:SF41402
|
2.3
|
33.3
|
1.0
|
S4
|
A:SF41402
|
2.3
|
34.2
|
1.0
|
SG
|
A:CYS264
|
2.4
|
27.3
|
1.0
|
FE1
|
A:SF41402
|
2.6
|
32.9
|
1.0
|
FE4
|
A:SF41402
|
2.7
|
38.3
|
1.0
|
FE2
|
A:SF41402
|
2.7
|
34.1
|
1.0
|
CB
|
A:CYS264
|
3.2
|
32.7
|
1.0
|
S3
|
A:SF41402
|
3.8
|
33.9
|
1.0
|
NH2
|
A:ARG312
|
4.0
|
34.6
|
1.0
|
O
|
A:HOH1450
|
4.5
|
70.0
|
1.0
|
SG
|
A:CYS261
|
4.6
|
34.1
|
1.0
|
CA
|
A:CYS264
|
4.6
|
32.4
|
1.0
|
NH1
|
A:ARG266
|
4.7
|
67.3
|
1.0
|
CA
|
A:CYS261
|
4.8
|
38.3
|
1.0
|
SG
|
A:CYS278
|
5.0
|
33.5
|
1.0
|
|
Iron binding site 8 out
of 16 in 1tv7
Go back to
Iron Binding Sites List in 1tv7
Iron binding site 8 out
of 16 in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1402
b:38.3
occ:1.00
|
FE4
|
A:SF41402
|
0.0
|
38.3
|
1.0
|
S3
|
A:SF41402
|
2.3
|
33.9
|
1.0
|
S2
|
A:SF41402
|
2.3
|
35.4
|
1.0
|
S1
|
A:SF41402
|
2.3
|
33.3
|
1.0
|
FE1
|
A:SF41402
|
2.7
|
32.9
|
1.0
|
FE3
|
A:SF41402
|
2.7
|
35.2
|
1.0
|
FE2
|
A:SF41402
|
2.7
|
34.1
|
1.0
|
S4
|
A:SF41402
|
3.9
|
34.2
|
1.0
|
OG
|
A:SER317
|
4.4
|
36.8
|
1.0
|
SG
|
A:CYS261
|
4.8
|
34.1
|
1.0
|
SG
|
A:CYS264
|
4.8
|
27.3
|
1.0
|
SG
|
A:CYS278
|
4.9
|
33.5
|
1.0
|
CG
|
A:LEU279
|
5.0
|
48.4
|
1.0
|
|
Iron binding site 9 out
of 16 in 1tv7
Go back to
Iron Binding Sites List in 1tv7
Iron binding site 9 out
of 16 in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe2401
b:45.5
occ:1.00
|
FE1
|
B:SF42401
|
0.0
|
45.5
|
1.0
|
SG
|
B:CYS24
|
2.2
|
34.9
|
1.0
|
S3
|
B:SF42401
|
2.3
|
45.7
|
1.0
|
S4
|
B:SF42401
|
2.3
|
42.6
|
1.0
|
S2
|
B:SF42401
|
2.3
|
44.0
|
1.0
|
FE2
|
B:SF42401
|
2.7
|
47.9
|
1.0
|
FE3
|
B:SF42401
|
2.7
|
40.6
|
1.0
|
FE4
|
B:SF42401
|
2.8
|
48.2
|
1.0
|
CB
|
B:CYS24
|
3.2
|
35.8
|
1.0
|
S1
|
B:SF42401
|
3.9
|
45.2
|
1.0
|
SD
|
B:MET32
|
4.0
|
54.6
|
1.0
|
CB
|
B:PHE26
|
4.0
|
40.0
|
1.0
|
CE
|
B:MET32
|
4.3
|
54.4
|
1.0
|
CG
|
B:MET32
|
4.5
|
56.2
|
1.0
|
O
|
B:PHE26
|
4.5
|
42.3
|
1.0
|
CA
|
B:CYS24
|
4.6
|
36.1
|
1.0
|
N
|
B:PHE26
|
4.7
|
38.5
|
1.0
|
C
|
B:PHE26
|
4.7
|
41.0
|
1.0
|
CA
|
B:PHE26
|
4.8
|
39.8
|
1.0
|
CA
|
B:GLY75
|
4.8
|
34.3
|
1.0
|
C
|
B:GLY75
|
4.8
|
33.8
|
1.0
|
SG
|
B:CYS28
|
4.9
|
45.5
|
1.0
|
ND2
|
B:ASN104
|
4.9
|
28.3
|
1.0
|
CG
|
B:PHE26
|
5.0
|
39.5
|
1.0
|
SG
|
B:CYS31
|
5.0
|
56.4
|
1.0
|
|
Iron binding site 10 out
of 16 in 1tv7
Go back to
Iron Binding Sites List in 1tv7
Iron binding site 10 out
of 16 in the Structure of the S-Adenosylmethionine Dependent Enzyme Moaa
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Structure of the S-Adenosylmethionine Dependent Enzyme Moaa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe2401
b:47.9
occ:1.00
|
FE2
|
B:SF42401
|
0.0
|
47.9
|
1.0
|
S4
|
B:SF42401
|
2.3
|
42.6
|
1.0
|
S1
|
B:SF42401
|
2.3
|
45.2
|
1.0
|
S3
|
B:SF42401
|
2.3
|
45.7
|
1.0
|
SG
|
B:CYS31
|
2.4
|
56.4
|
1.0
|
FE4
|
B:SF42401
|
2.6
|
48.2
|
1.0
|
FE3
|
B:SF42401
|
2.7
|
40.6
|
1.0
|
FE1
|
B:SF42401
|
2.7
|
45.5
|
1.0
|
CB
|
B:CYS31
|
3.2
|
55.8
|
1.0
|
S2
|
B:SF42401
|
3.8
|
44.0
|
1.0
|
CG
|
B:MET32
|
3.8
|
56.2
|
1.0
|
CE
|
B:MET32
|
4.2
|
54.4
|
1.0
|
SD
|
B:MET32
|
4.3
|
54.6
|
1.0
|
C
|
B:CYS31
|
4.4
|
56.2
|
1.0
|
CA
|
B:CYS31
|
4.4
|
55.9
|
1.0
|
N
|
B:MET32
|
4.5
|
56.7
|
1.0
|
CB
|
B:MET32
|
4.6
|
56.5
|
1.0
|
SG
|
B:CYS28
|
4.7
|
45.5
|
1.0
|
CB
|
B:CYS28
|
4.7
|
46.4
|
1.0
|
O
|
B:CYS31
|
4.8
|
56.5
|
1.0
|
SG
|
B:CYS24
|
4.9
|
34.9
|
1.0
|
|
Reference:
P.Hanzelmann,
H.Schindelin.
Crystal Structure of the S-Adenosylmethionine-Dependent Enzyme Moaa and Its Implications For Molybdenum Cofactor Deficiency in Humans. Proc.Natl.Acad.Sci.Usa V. 101 12870 2004.
ISSN: ISSN 0027-8424
PubMed: 15317939
DOI: 10.1073/PNAS.0404624101
Page generated: Sat Aug 3 15:21:05 2024
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