Iron in PDB 8sm6: Aerobic, Diiron(III)-Metalated Sfbo
Protein crystallography data
The structure of Aerobic, Diiron(III)-Metalated Sfbo, PDB code: 8sm6
was solved by
C.Liu,
M.M.Powell,
J.Rittle,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.32 /
1.39
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
86.333,
128.501,
138.819,
90,
90,
90
|
R / Rfree (%)
|
15.3 /
16.6
|
Iron Binding Sites:
The binding sites of Iron atom in the Aerobic, Diiron(III)-Metalated Sfbo
(pdb code 8sm6). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Aerobic, Diiron(III)-Metalated Sfbo, PDB code: 8sm6:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 8sm6
Go back to
Iron Binding Sites List in 8sm6
Iron binding site 1 out
of 8 in the Aerobic, Diiron(III)-Metalated Sfbo
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Aerobic, Diiron(III)-Metalated Sfbo within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe402
b:15.8
occ:1.00
|
OD2
|
A:ASP30
|
2.0
|
16.6
|
1.0
|
OE1
|
A:GLU264
|
2.1
|
18.8
|
1.0
|
OD1
|
A:ASP337
|
2.1
|
18.3
|
1.0
|
NE2
|
A:HIS32
|
2.1
|
16.5
|
1.0
|
NE2
|
A:HIS207
|
2.2
|
14.7
|
1.0
|
O
|
A:HOH589
|
2.2
|
23.2
|
1.0
|
CG
|
A:ASP30
|
3.0
|
17.1
|
1.0
|
CE1
|
A:HIS207
|
3.1
|
15.3
|
1.0
|
CE1
|
A:HIS32
|
3.1
|
16.2
|
1.0
|
CG
|
A:ASP337
|
3.1
|
17.9
|
1.0
|
CD2
|
A:HIS32
|
3.1
|
15.8
|
1.0
|
CD
|
A:GLU264
|
3.2
|
16.6
|
1.0
|
HE1
|
A:HIS207
|
3.2
|
18.4
|
1.0
|
CD2
|
A:HIS207
|
3.2
|
13.8
|
1.0
|
HE1
|
A:HIS32
|
3.2
|
19.5
|
1.0
|
OD1
|
A:ASP30
|
3.3
|
18.4
|
1.0
|
HD2
|
A:HIS32
|
3.3
|
19.0
|
1.0
|
HD2
|
A:HIS207
|
3.4
|
16.6
|
1.0
|
FE
|
A:FE403
|
3.5
|
16.1
|
0.9
|
OD2
|
A:ASP337
|
3.7
|
18.0
|
1.0
|
OE2
|
A:GLU264
|
3.7
|
17.3
|
1.0
|
HB2
|
A:GLU264
|
3.7
|
18.8
|
1.0
|
HA
|
A:ASP337
|
3.9
|
18.9
|
1.0
|
HE1
|
A:HIS340
|
4.0
|
24.8
|
1.0
|
O
|
A:HOH618
|
4.0
|
15.6
|
1.0
|
CB
|
A:ASP337
|
4.1
|
16.2
|
1.0
|
HB2
|
A:ASP337
|
4.2
|
19.5
|
1.0
|
ND1
|
A:HIS32
|
4.2
|
17.6
|
1.0
|
HG22
|
A:ILE263
|
4.2
|
20.1
|
0.4
|
ND1
|
A:HIS207
|
4.2
|
14.6
|
1.0
|
CG
|
A:HIS32
|
4.2
|
14.9
|
1.0
|
ND1
|
A:HIS340
|
4.3
|
18.1
|
1.0
|
CB
|
A:ASP30
|
4.3
|
14.9
|
1.0
|
CG
|
A:HIS207
|
4.3
|
15.5
|
1.0
|
CG
|
A:GLU264
|
4.3
|
15.5
|
1.0
|
CE1
|
A:HIS340
|
4.3
|
20.7
|
1.0
|
HB3
|
A:ASP30
|
4.4
|
17.9
|
1.0
|
CB
|
A:GLU264
|
4.4
|
15.6
|
1.0
|
HG1
|
A:THR108
|
4.4
|
17.8
|
1.0
|
HB3
|
A:GLU264
|
4.5
|
18.8
|
1.0
|
O
|
A:HOH823
|
4.5
|
26.6
|
1.0
|
HG21
|
A:ILE263
|
4.5
|
20.1
|
0.4
|
CA
|
A:ASP337
|
4.5
|
15.8
|
1.0
|
HD12
|
A:ILE263
|
4.6
|
18.4
|
0.6
|
O
|
A:HOH516
|
4.7
|
22.7
|
1.0
|
HB2
|
A:ASP30
|
4.7
|
17.9
|
1.0
|
HE2
|
A:PHE208
|
4.7
|
18.6
|
1.0
|
CG2
|
A:ILE263
|
4.8
|
16.8
|
0.4
|
HG3
|
A:GLU264
|
4.9
|
18.6
|
1.0
|
OE1
|
A:GLN308
|
4.9
|
15.9
|
1.0
|
HG2
|
A:GLU264
|
4.9
|
18.6
|
1.0
|
HB3
|
A:ASP337
|
5.0
|
19.5
|
1.0
|
HD1
|
A:HIS32
|
5.0
|
21.2
|
1.0
|
HD1
|
A:HIS207
|
5.0
|
17.5
|
1.0
|
|
Iron binding site 2 out
of 8 in 8sm6
Go back to
Iron Binding Sites List in 8sm6
Iron binding site 2 out
of 8 in the Aerobic, Diiron(III)-Metalated Sfbo
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Aerobic, Diiron(III)-Metalated Sfbo within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe403
b:16.1
occ:0.86
|
O
|
A:HOH507
|
2.0
|
18.9
|
1.0
|
OD2
|
A:ASP337
|
2.1
|
18.0
|
1.0
|
O
|
A:HOH589
|
2.1
|
23.2
|
1.0
|
OE2
|
A:GLU264
|
2.2
|
17.3
|
1.0
|
O
|
A:HOH516
|
2.2
|
22.7
|
1.0
|
ND1
|
A:HIS340
|
2.2
|
18.1
|
1.0
|
CG
|
A:ASP337
|
2.9
|
17.9
|
1.0
|
CD
|
A:GLU264
|
3.0
|
16.6
|
1.0
|
CE1
|
A:HIS340
|
3.0
|
20.7
|
1.0
|
OD1
|
A:ASP337
|
3.1
|
18.3
|
1.0
|
HE1
|
A:HIS340
|
3.1
|
24.8
|
1.0
|
OE1
|
A:GLU264
|
3.2
|
18.8
|
1.0
|
CG
|
A:HIS340
|
3.3
|
17.9
|
1.0
|
HB2
|
A:HIS340
|
3.5
|
22.1
|
1.0
|
FE
|
A:FE402
|
3.5
|
15.8
|
1.0
|
HE2
|
A:PHE208
|
3.6
|
18.6
|
1.0
|
HB3
|
A:HIS340
|
3.6
|
22.1
|
1.0
|
CB
|
A:HIS340
|
3.7
|
18.4
|
1.0
|
O1
|
A:SO4401
|
4.0
|
23.8
|
1.0
|
OD1
|
A:ASP342
|
4.0
|
19.1
|
1.0
|
O
|
A:HOH823
|
4.1
|
26.6
|
1.0
|
HE1
|
A:HIS207
|
4.2
|
18.4
|
1.0
|
NE2
|
A:HIS340
|
4.2
|
22.8
|
1.0
|
O
|
A:HOH557
|
4.2
|
17.4
|
1.0
|
O4
|
A:SO4401
|
4.3
|
28.3
|
1.0
|
CB
|
A:ASP337
|
4.3
|
16.2
|
1.0
|
CD2
|
A:HIS340
|
4.4
|
21.2
|
1.0
|
NE2
|
A:HIS32
|
4.4
|
16.5
|
1.0
|
HE22
|
A:GLN308
|
4.4
|
20.7
|
1.0
|
CG
|
A:GLU264
|
4.4
|
15.5
|
1.0
|
HD2
|
A:HIS32
|
4.5
|
19.0
|
1.0
|
CE2
|
A:PHE208
|
4.5
|
15.4
|
1.0
|
HB3
|
A:ASP337
|
4.5
|
19.5
|
1.0
|
O
|
A:HOH744
|
4.6
|
37.4
|
1.0
|
HG2
|
A:GLU264
|
4.6
|
18.6
|
1.0
|
CD2
|
A:HIS32
|
4.7
|
15.8
|
1.0
|
HB2
|
A:ASP337
|
4.7
|
19.5
|
1.0
|
HZ
|
A:PHE208
|
4.8
|
16.1
|
1.0
|
HG3
|
A:GLU264
|
4.8
|
18.6
|
1.0
|
S
|
A:SO4401
|
4.8
|
23.6
|
1.0
|
CE1
|
A:HIS207
|
4.8
|
15.3
|
1.0
|
NE2
|
A:HIS207
|
4.9
|
14.7
|
1.0
|
O
|
A:ASP337
|
4.9
|
15.4
|
1.0
|
CG
|
A:ASP342
|
4.9
|
17.8
|
1.0
|
OD2
|
A:ASP342
|
5.0
|
19.6
|
1.0
|
NE2
|
A:GLN308
|
5.0
|
17.2
|
1.0
|
HE2
|
A:HIS340
|
5.0
|
27.3
|
1.0
|
OE1
|
A:GLN308
|
5.0
|
15.9
|
1.0
|
|
Iron binding site 3 out
of 8 in 8sm6
Go back to
Iron Binding Sites List in 8sm6
Iron binding site 3 out
of 8 in the Aerobic, Diiron(III)-Metalated Sfbo
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Aerobic, Diiron(III)-Metalated Sfbo within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe402
b:16.0
occ:1.00
|
OD1
|
B:ASP337
|
2.0
|
17.8
|
1.0
|
OD2
|
B:ASP30
|
2.0
|
16.0
|
1.0
|
NE2
|
B:HIS32
|
2.0
|
15.0
|
1.0
|
OE1
|
B:GLU264
|
2.1
|
19.4
|
1.0
|
O
|
B:HOH538
|
2.1
|
21.8
|
1.0
|
NE2
|
B:HIS207
|
2.2
|
16.1
|
1.0
|
CG
|
B:ASP30
|
3.0
|
18.0
|
1.0
|
CE1
|
B:HIS32
|
3.0
|
17.2
|
1.0
|
CD2
|
B:HIS32
|
3.1
|
15.6
|
1.0
|
CG
|
B:ASP337
|
3.1
|
16.9
|
1.0
|
CE1
|
B:HIS207
|
3.1
|
15.0
|
1.0
|
CD2
|
B:HIS207
|
3.2
|
15.0
|
1.0
|
CD
|
B:GLU264
|
3.2
|
16.2
|
1.0
|
HE1
|
B:HIS32
|
3.2
|
20.7
|
1.0
|
HD2
|
B:HIS32
|
3.2
|
18.8
|
1.0
|
HE1
|
B:HIS207
|
3.3
|
18.0
|
1.0
|
OD1
|
B:ASP30
|
3.3
|
18.2
|
1.0
|
HD2
|
B:HIS207
|
3.4
|
18.0
|
1.0
|
FE
|
B:FE403
|
3.5
|
16.1
|
0.9
|
HB2
|
B:GLU264
|
3.7
|
15.9
|
1.0
|
OD2
|
B:ASP337
|
3.7
|
17.1
|
1.0
|
OE2
|
B:GLU264
|
3.7
|
16.2
|
1.0
|
HA
|
B:ASP337
|
3.8
|
19.6
|
1.0
|
HE1
|
B:HIS340
|
4.0
|
26.7
|
1.0
|
O
|
B:HOH625
|
4.1
|
15.2
|
1.0
|
HB2
|
B:ASP337
|
4.1
|
19.6
|
1.0
|
CB
|
B:ASP337
|
4.1
|
16.3
|
1.0
|
ND1
|
B:HIS32
|
4.1
|
17.2
|
1.0
|
CG
|
B:HIS32
|
4.2
|
15.6
|
1.0
|
ND1
|
B:HIS207
|
4.2
|
14.1
|
1.0
|
CB
|
B:ASP30
|
4.3
|
14.2
|
1.0
|
CG
|
B:HIS207
|
4.3
|
13.2
|
1.0
|
ND1
|
B:HIS340
|
4.3
|
18.3
|
1.0
|
CB
|
B:GLU264
|
4.3
|
13.2
|
1.0
|
CG
|
B:GLU264
|
4.4
|
14.5
|
1.0
|
CE1
|
B:HIS340
|
4.4
|
22.2
|
1.0
|
HB3
|
B:ASP30
|
4.4
|
17.1
|
1.0
|
HG1
|
B:THR108
|
4.4
|
18.8
|
1.0
|
HB3
|
B:GLU264
|
4.4
|
15.9
|
1.0
|
CA
|
B:ASP337
|
4.5
|
16.3
|
1.0
|
O
|
B:HOH854
|
4.6
|
27.1
|
1.0
|
HD12
|
B:ILE263
|
4.7
|
27.2
|
1.0
|
O
|
B:HOH513
|
4.7
|
24.1
|
1.0
|
HB2
|
B:ASP30
|
4.7
|
17.1
|
1.0
|
HE2
|
B:PHE208
|
4.8
|
17.8
|
1.0
|
HG3
|
B:GLU264
|
4.9
|
17.4
|
1.0
|
HD1
|
B:HIS32
|
4.9
|
20.7
|
1.0
|
HB3
|
B:ASP337
|
4.9
|
19.6
|
1.0
|
HG2
|
B:GLU264
|
5.0
|
17.4
|
1.0
|
|
Iron binding site 4 out
of 8 in 8sm6
Go back to
Iron Binding Sites List in 8sm6
Iron binding site 4 out
of 8 in the Aerobic, Diiron(III)-Metalated Sfbo
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Aerobic, Diiron(III)-Metalated Sfbo within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe403
b:16.1
occ:0.87
|
O
|
B:HOH505
|
2.0
|
19.8
|
1.0
|
O
|
B:HOH538
|
2.1
|
21.8
|
1.0
|
OD2
|
B:ASP337
|
2.1
|
17.1
|
1.0
|
OE2
|
B:GLU264
|
2.2
|
16.2
|
1.0
|
ND1
|
B:HIS340
|
2.2
|
18.3
|
1.0
|
O
|
B:HOH513
|
2.2
|
24.1
|
1.0
|
CG
|
B:ASP337
|
2.9
|
16.9
|
1.0
|
CD
|
B:GLU264
|
3.0
|
16.2
|
1.0
|
OD1
|
B:ASP337
|
3.0
|
17.8
|
1.0
|
CE1
|
B:HIS340
|
3.1
|
22.2
|
1.0
|
HE1
|
B:HIS340
|
3.2
|
26.7
|
1.0
|
OE1
|
B:GLU264
|
3.2
|
19.4
|
1.0
|
CG
|
B:HIS340
|
3.3
|
18.6
|
1.0
|
HB2
|
B:HIS340
|
3.5
|
22.3
|
1.0
|
FE
|
B:FE402
|
3.5
|
16.0
|
1.0
|
HB3
|
B:HIS340
|
3.6
|
22.3
|
1.0
|
HE2
|
B:PHE208
|
3.6
|
17.8
|
1.0
|
CB
|
B:HIS340
|
3.7
|
18.6
|
1.0
|
O1
|
B:SO4401
|
4.0
|
22.7
|
1.0
|
OD1
|
B:ASP342
|
4.0
|
18.9
|
1.0
|
O
|
B:HOH545
|
4.1
|
17.7
|
1.0
|
O
|
B:HOH854
|
4.1
|
27.1
|
1.0
|
HE1
|
B:HIS207
|
4.2
|
18.0
|
1.0
|
NE2
|
B:HIS340
|
4.3
|
22.2
|
1.0
|
CB
|
B:ASP337
|
4.3
|
16.3
|
1.0
|
O4
|
B:SO4401
|
4.3
|
30.3
|
1.0
|
NE2
|
B:HIS32
|
4.4
|
15.0
|
1.0
|
HE22
|
B:GLN308
|
4.4
|
20.5
|
1.0
|
CD2
|
B:HIS340
|
4.4
|
18.8
|
1.0
|
CG
|
B:GLU264
|
4.4
|
14.5
|
1.0
|
HD2
|
B:HIS32
|
4.5
|
18.8
|
1.0
|
HB3
|
B:ASP337
|
4.5
|
19.6
|
1.0
|
O
|
B:HOH769
|
4.5
|
34.9
|
1.0
|
CE2
|
B:PHE208
|
4.5
|
14.8
|
1.0
|
HG2
|
B:GLU264
|
4.6
|
17.4
|
1.0
|
HB2
|
B:ASP337
|
4.6
|
19.6
|
1.0
|
CD2
|
B:HIS32
|
4.7
|
15.6
|
1.0
|
HG3
|
B:GLU264
|
4.8
|
17.4
|
1.0
|
S
|
B:SO4401
|
4.8
|
22.5
|
1.0
|
HZ
|
B:PHE208
|
4.8
|
17.4
|
1.0
|
NE2
|
B:HIS207
|
4.8
|
16.1
|
1.0
|
CE1
|
B:HIS207
|
4.8
|
15.0
|
1.0
|
O
|
B:ASP337
|
4.9
|
16.3
|
1.0
|
CG
|
B:ASP342
|
4.9
|
19.2
|
1.0
|
NE2
|
B:GLN308
|
5.0
|
17.1
|
1.0
|
OD2
|
B:ASP342
|
5.0
|
19.7
|
1.0
|
|
Iron binding site 5 out
of 8 in 8sm6
Go back to
Iron Binding Sites List in 8sm6
Iron binding site 5 out
of 8 in the Aerobic, Diiron(III)-Metalated Sfbo
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Aerobic, Diiron(III)-Metalated Sfbo within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe402
b:15.2
occ:1.00
|
OD2
|
C:ASP30
|
2.1
|
14.6
|
1.0
|
OE1
|
C:GLU264
|
2.1
|
18.3
|
1.0
|
NE2
|
C:HIS32
|
2.1
|
15.6
|
1.0
|
OD1
|
C:ASP337
|
2.1
|
17.6
|
1.0
|
O
|
C:HOH573
|
2.1
|
21.5
|
1.0
|
NE2
|
C:HIS207
|
2.2
|
14.2
|
1.0
|
CG
|
C:ASP30
|
3.0
|
15.0
|
1.0
|
CG
|
C:ASP337
|
3.1
|
15.0
|
1.0
|
CE1
|
C:HIS207
|
3.1
|
14.4
|
1.0
|
CD2
|
C:HIS32
|
3.1
|
16.0
|
1.0
|
CE1
|
C:HIS32
|
3.1
|
17.2
|
1.0
|
CD
|
C:GLU264
|
3.2
|
15.2
|
1.0
|
HE1
|
C:HIS207
|
3.2
|
17.4
|
1.0
|
CD2
|
C:HIS207
|
3.2
|
14.4
|
1.0
|
HD2
|
C:HIS32
|
3.2
|
19.2
|
1.0
|
HE1
|
C:HIS32
|
3.3
|
20.7
|
1.0
|
OD1
|
C:ASP30
|
3.3
|
18.3
|
1.0
|
HD2
|
C:HIS207
|
3.4
|
17.3
|
1.0
|
FE
|
C:FE403
|
3.5
|
14.7
|
0.8
|
OD2
|
C:ASP337
|
3.6
|
16.1
|
1.0
|
OE2
|
C:GLU264
|
3.7
|
16.9
|
1.0
|
HB2
|
C:GLU264
|
3.7
|
16.5
|
1.0
|
HA
|
C:ASP337
|
3.8
|
17.8
|
1.0
|
HE1
|
C:HIS340
|
4.0
|
22.7
|
1.0
|
CB
|
C:ASP337
|
4.1
|
14.4
|
1.0
|
HB2
|
C:ASP337
|
4.1
|
17.3
|
1.0
|
O
|
C:HOH635
|
4.1
|
15.3
|
1.0
|
ND1
|
C:HIS32
|
4.2
|
14.9
|
1.0
|
CG
|
C:HIS32
|
4.2
|
15.2
|
1.0
|
ND1
|
C:HIS207
|
4.2
|
13.4
|
1.0
|
ND1
|
C:HIS340
|
4.3
|
17.1
|
1.0
|
CG
|
C:HIS207
|
4.3
|
13.5
|
1.0
|
CE1
|
C:HIS340
|
4.3
|
18.9
|
1.0
|
CB
|
C:ASP30
|
4.3
|
14.0
|
1.0
|
CG
|
C:GLU264
|
4.4
|
15.1
|
1.0
|
CB
|
C:GLU264
|
4.4
|
13.8
|
1.0
|
HB3
|
C:ASP30
|
4.4
|
16.8
|
1.0
|
HB3
|
C:GLU264
|
4.4
|
16.5
|
1.0
|
HG1
|
C:THR108
|
4.5
|
18.3
|
1.0
|
CA
|
C:ASP337
|
4.5
|
14.8
|
1.0
|
O
|
C:HOH842
|
4.6
|
26.2
|
1.0
|
HD12
|
C:ILE263
|
4.6
|
23.3
|
1.0
|
O
|
C:HOH545
|
4.7
|
21.2
|
1.0
|
HE2
|
C:PHE208
|
4.7
|
16.9
|
1.0
|
HB2
|
C:ASP30
|
4.8
|
16.8
|
1.0
|
HG3
|
C:GLU264
|
4.9
|
18.1
|
1.0
|
HB3
|
C:ASP337
|
4.9
|
17.3
|
1.0
|
OE1
|
C:GLN308
|
4.9
|
15.7
|
1.0
|
HG2
|
C:GLU264
|
4.9
|
18.1
|
1.0
|
HD1
|
C:HIS32
|
5.0
|
17.9
|
1.0
|
HD1
|
C:HIS207
|
5.0
|
16.2
|
1.0
|
|
Iron binding site 6 out
of 8 in 8sm6
Go back to
Iron Binding Sites List in 8sm6
Iron binding site 6 out
of 8 in the Aerobic, Diiron(III)-Metalated Sfbo
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Aerobic, Diiron(III)-Metalated Sfbo within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe403
b:14.7
occ:0.83
|
O
|
C:HOH504
|
2.0
|
18.6
|
1.0
|
O
|
C:HOH573
|
2.0
|
21.5
|
1.0
|
OD2
|
C:ASP337
|
2.1
|
16.1
|
1.0
|
OE2
|
C:GLU264
|
2.1
|
16.9
|
1.0
|
O
|
C:HOH545
|
2.2
|
21.2
|
1.0
|
ND1
|
C:HIS340
|
2.2
|
17.1
|
1.0
|
CG
|
C:ASP337
|
2.9
|
15.0
|
1.0
|
CD
|
C:GLU264
|
3.0
|
15.2
|
1.0
|
CE1
|
C:HIS340
|
3.0
|
18.9
|
1.0
|
OD1
|
C:ASP337
|
3.1
|
17.6
|
1.0
|
HE1
|
C:HIS340
|
3.1
|
22.7
|
1.0
|
OE1
|
C:GLU264
|
3.2
|
18.3
|
1.0
|
CG
|
C:HIS340
|
3.3
|
17.9
|
1.0
|
HB2
|
C:HIS340
|
3.5
|
19.3
|
1.0
|
FE
|
C:FE402
|
3.5
|
15.2
|
1.0
|
HE2
|
C:PHE208
|
3.6
|
16.9
|
1.0
|
HB3
|
C:HIS340
|
3.6
|
19.3
|
1.0
|
CB
|
C:HIS340
|
3.7
|
16.1
|
1.0
|
O4
|
C:SO4401
|
4.0
|
22.4
|
1.0
|
OD1
|
C:ASP342
|
4.1
|
19.6
|
1.0
|
O
|
C:HOH842
|
4.1
|
26.2
|
1.0
|
HE1
|
C:HIS207
|
4.2
|
17.4
|
1.0
|
O
|
C:HOH589
|
4.2
|
18.4
|
1.0
|
NE2
|
C:HIS340
|
4.2
|
21.0
|
1.0
|
HE22
|
C:GLN308
|
4.3
|
21.4
|
1.0
|
CB
|
C:ASP337
|
4.3
|
14.4
|
1.0
|
CD2
|
C:HIS340
|
4.4
|
18.9
|
1.0
|
NE2
|
C:HIS32
|
4.4
|
15.6
|
1.0
|
CG
|
C:GLU264
|
4.4
|
15.1
|
1.0
|
HD2
|
C:HIS32
|
4.5
|
19.2
|
1.0
|
O
|
C:HOH754
|
4.5
|
34.0
|
1.0
|
CE2
|
C:PHE208
|
4.5
|
14.1
|
1.0
|
O1
|
C:SO4401
|
4.5
|
29.6
|
1.0
|
HB3
|
C:ASP337
|
4.5
|
17.3
|
1.0
|
HG2
|
C:GLU264
|
4.6
|
18.1
|
1.0
|
HB2
|
C:ASP337
|
4.7
|
17.3
|
1.0
|
CD2
|
C:HIS32
|
4.7
|
16.0
|
1.0
|
HZ
|
C:PHE208
|
4.7
|
18.4
|
1.0
|
HG3
|
C:GLU264
|
4.8
|
18.1
|
1.0
|
CE1
|
C:HIS207
|
4.8
|
14.4
|
1.0
|
NE2
|
C:HIS207
|
4.8
|
14.2
|
1.0
|
S
|
C:SO4401
|
4.8
|
22.6
|
1.0
|
NE2
|
C:GLN308
|
4.9
|
17.8
|
1.0
|
O
|
C:ASP337
|
4.9
|
15.2
|
1.0
|
HE2
|
C:HIS340
|
5.0
|
25.2
|
1.0
|
CG
|
C:ASP342
|
5.0
|
20.4
|
1.0
|
|
Iron binding site 7 out
of 8 in 8sm6
Go back to
Iron Binding Sites List in 8sm6
Iron binding site 7 out
of 8 in the Aerobic, Diiron(III)-Metalated Sfbo
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Aerobic, Diiron(III)-Metalated Sfbo within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe402
b:17.5
occ:1.00
|
OD2
|
D:ASP30
|
2.0
|
18.8
|
1.0
|
OD1
|
D:ASP337
|
2.0
|
20.2
|
1.0
|
NE2
|
D:HIS32
|
2.1
|
17.7
|
1.0
|
OE1
|
D:GLU264
|
2.1
|
21.2
|
1.0
|
O
|
D:HOH551
|
2.1
|
26.8
|
1.0
|
NE2
|
D:HIS207
|
2.2
|
15.0
|
1.0
|
CG
|
D:ASP30
|
3.0
|
20.1
|
1.0
|
CE1
|
D:HIS32
|
3.0
|
18.8
|
1.0
|
CG
|
D:ASP337
|
3.1
|
18.5
|
1.0
|
CD2
|
D:HIS32
|
3.1
|
18.5
|
1.0
|
CE1
|
D:HIS207
|
3.1
|
17.9
|
1.0
|
CD
|
D:GLU264
|
3.2
|
17.8
|
1.0
|
HE1
|
D:HIS207
|
3.2
|
21.5
|
1.0
|
HE1
|
D:HIS32
|
3.2
|
22.6
|
1.0
|
CD2
|
D:HIS207
|
3.2
|
14.6
|
1.0
|
HD2
|
D:HIS32
|
3.3
|
22.2
|
1.0
|
OD1
|
D:ASP30
|
3.3
|
19.6
|
1.0
|
HD2
|
D:HIS207
|
3.4
|
17.5
|
1.0
|
FE
|
D:FE403
|
3.5
|
17.0
|
0.9
|
OD2
|
D:ASP337
|
3.7
|
18.5
|
1.0
|
HB2
|
D:GLU264
|
3.7
|
19.3
|
1.0
|
OE2
|
D:GLU264
|
3.7
|
17.8
|
1.0
|
HA
|
D:ASP337
|
3.8
|
21.0
|
1.0
|
HE1
|
D:HIS340
|
3.9
|
27.2
|
1.0
|
HG22
|
D:ILE263
|
4.0
|
32.0
|
1.0
|
O
|
D:HOH621
|
4.1
|
17.9
|
1.0
|
CB
|
D:ASP337
|
4.1
|
17.0
|
1.0
|
ND1
|
D:HIS32
|
4.2
|
18.2
|
1.0
|
HB2
|
D:ASP337
|
4.2
|
20.4
|
1.0
|
CG
|
D:HIS32
|
4.2
|
17.7
|
1.0
|
ND1
|
D:HIS207
|
4.2
|
15.6
|
1.0
|
CE1
|
D:HIS340
|
4.3
|
22.7
|
1.0
|
ND1
|
D:HIS340
|
4.3
|
19.4
|
1.0
|
CB
|
D:ASP30
|
4.3
|
17.7
|
1.0
|
CG
|
D:HIS207
|
4.3
|
15.2
|
1.0
|
CB
|
D:GLU264
|
4.4
|
16.1
|
1.0
|
CG
|
D:GLU264
|
4.4
|
16.9
|
1.0
|
HB3
|
D:ASP30
|
4.4
|
21.3
|
1.0
|
HG1
|
D:THR108
|
4.4
|
21.1
|
1.0
|
O
|
D:HOH802
|
4.4
|
27.5
|
1.0
|
HB3
|
D:GLU264
|
4.5
|
19.3
|
1.0
|
CA
|
D:ASP337
|
4.5
|
17.5
|
1.0
|
O
|
D:HOH516
|
4.6
|
23.0
|
1.0
|
HG21
|
D:ILE263
|
4.7
|
32.0
|
1.0
|
HB2
|
D:ASP30
|
4.7
|
21.3
|
1.0
|
CG2
|
D:ILE263
|
4.7
|
26.7
|
1.0
|
HE2
|
D:PHE208
|
4.8
|
18.6
|
1.0
|
HG3
|
D:GLU264
|
4.9
|
20.2
|
1.0
|
HD1
|
D:HIS32
|
4.9
|
21.9
|
1.0
|
HB3
|
D:ASP337
|
5.0
|
20.4
|
1.0
|
OE1
|
D:GLN308
|
5.0
|
16.5
|
1.0
|
HG2
|
D:GLU264
|
5.0
|
20.2
|
1.0
|
HD1
|
D:HIS207
|
5.0
|
18.7
|
1.0
|
HG23
|
D:ILE263
|
5.0
|
32.0
|
1.0
|
|
Iron binding site 8 out
of 8 in 8sm6
Go back to
Iron Binding Sites List in 8sm6
Iron binding site 8 out
of 8 in the Aerobic, Diiron(III)-Metalated Sfbo
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Aerobic, Diiron(III)-Metalated Sfbo within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe403
b:17.0
occ:0.86
|
O
|
D:HOH512
|
2.0
|
18.6
|
1.0
|
OD2
|
D:ASP337
|
2.1
|
18.5
|
1.0
|
O
|
D:HOH551
|
2.1
|
26.8
|
1.0
|
O
|
D:HOH516
|
2.2
|
23.0
|
1.0
|
OE2
|
D:GLU264
|
2.2
|
17.8
|
1.0
|
ND1
|
D:HIS340
|
2.2
|
19.4
|
1.0
|
CG
|
D:ASP337
|
2.9
|
18.5
|
1.0
|
CD
|
D:GLU264
|
3.0
|
17.8
|
1.0
|
CE1
|
D:HIS340
|
3.0
|
22.7
|
1.0
|
OD1
|
D:ASP337
|
3.1
|
20.2
|
1.0
|
HE1
|
D:HIS340
|
3.1
|
27.2
|
1.0
|
OE1
|
D:GLU264
|
3.2
|
21.2
|
1.0
|
CG
|
D:HIS340
|
3.3
|
20.8
|
1.0
|
HB2
|
D:HIS340
|
3.5
|
24.9
|
1.0
|
FE
|
D:FE402
|
3.5
|
17.5
|
1.0
|
HB3
|
D:HIS340
|
3.6
|
24.9
|
1.0
|
HE2
|
D:PHE208
|
3.6
|
18.6
|
1.0
|
CB
|
D:HIS340
|
3.7
|
20.7
|
1.0
|
O2
|
D:SO4401
|
4.1
|
23.6
|
1.0
|
OD1
|
D:ASP342
|
4.1
|
20.6
|
1.0
|
O
|
D:HOH802
|
4.2
|
27.5
|
1.0
|
NE2
|
D:HIS340
|
4.2
|
23.9
|
1.0
|
HE1
|
D:HIS207
|
4.2
|
21.5
|
1.0
|
O
|
D:HOH569
|
4.2
|
17.9
|
1.0
|
O3
|
D:SO4401
|
4.3
|
30.2
|
1.0
|
CB
|
D:ASP337
|
4.3
|
17.0
|
1.0
|
CD2
|
D:HIS340
|
4.4
|
21.0
|
1.0
|
NE2
|
D:HIS32
|
4.4
|
17.7
|
1.0
|
HE22
|
D:GLN308
|
4.4
|
22.2
|
1.0
|
CG
|
D:GLU264
|
4.4
|
16.9
|
1.0
|
HD2
|
D:HIS32
|
4.5
|
22.2
|
1.0
|
HB3
|
D:ASP337
|
4.5
|
20.4
|
1.0
|
CE2
|
D:PHE208
|
4.5
|
15.5
|
1.0
|
O
|
D:HOH736
|
4.6
|
35.7
|
1.0
|
HG2
|
D:GLU264
|
4.6
|
20.2
|
1.0
|
HB2
|
D:ASP337
|
4.7
|
20.4
|
1.0
|
CD2
|
D:HIS32
|
4.7
|
18.5
|
1.0
|
HG3
|
D:GLU264
|
4.8
|
20.2
|
1.0
|
S
|
D:SO4401
|
4.8
|
23.0
|
1.0
|
HZ
|
D:PHE208
|
4.8
|
18.0
|
1.0
|
CE1
|
D:HIS207
|
4.8
|
17.9
|
1.0
|
NE2
|
D:HIS207
|
4.9
|
15.0
|
1.0
|
O
|
D:ASP337
|
4.9
|
17.9
|
1.0
|
HE2
|
D:HIS340
|
5.0
|
28.7
|
1.0
|
NE2
|
D:GLN308
|
5.0
|
18.4
|
1.0
|
CG
|
D:ASP342
|
5.0
|
20.8
|
1.0
|
|
Reference:
C.Liu,
M.M.Powell,
G.Rao,
R.D.Britt,
J.Rittle.
Bioinformatic Discovery of A Cambialistic Monooxygenase. J.Am.Chem.Soc. V. 146 1783 2024.
ISSN: ESSN 1520-5126
PubMed: 38198693
DOI: 10.1021/JACS.3C12131
Page generated: Sat Aug 10 17:49:39 2024
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