Iron in PDB 7m8q: Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans
Protein crystallography data
The structure of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans, PDB code: 7m8q
was solved by
J.C.Johns,
R.Banerjee,
K.Shi,
M.M.Semonis,
H.Aihara,
W.C.K.Pomerantz,
J.D.Lipscomb,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
86.33 /
2.08
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
102.493,
105.623,
299.704,
90,
90,
90
|
R / Rfree (%)
|
18.2 /
21.2
|
Other elements in 7m8q:
The structure of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans
(pdb code 7m8q). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans, PDB code: 7m8q:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 7m8q
Go back to
Iron Binding Sites List in 7m8q
Iron binding site 1 out
of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:25.1
occ:1.00
|
O
|
A:HOH1243
|
2.0
|
24.8
|
1.0
|
OE2
|
A:GLU114
|
2.0
|
35.4
|
1.0
|
OE1
|
A:GLU144
|
2.0
|
36.5
|
1.0
|
O1
|
A:BEZ803
|
2.1
|
27.7
|
1.0
|
O
|
A:HOH1269
|
2.1
|
24.7
|
1.0
|
ND1
|
A:HIS147
|
2.3
|
19.3
|
1.0
|
CD
|
A:GLU114
|
3.0
|
32.5
|
1.0
|
CD
|
A:GLU144
|
3.0
|
35.4
|
1.0
|
CE1
|
A:HIS147
|
3.1
|
19.5
|
1.0
|
C
|
A:BEZ803
|
3.2
|
28.7
|
1.0
|
CG
|
A:HIS147
|
3.4
|
19.5
|
1.0
|
OE2
|
A:GLU144
|
3.4
|
37.6
|
1.0
|
OE1
|
A:GLU114
|
3.4
|
34.4
|
1.0
|
FE
|
A:FE802
|
3.4
|
25.6
|
1.0
|
O2
|
A:BEZ803
|
3.7
|
29.1
|
1.0
|
CB
|
A:HIS147
|
3.8
|
18.2
|
1.0
|
OE1
|
A:GLU243
|
3.9
|
44.4
|
1.0
|
O
|
A:HOH1201
|
4.1
|
32.8
|
1.0
|
NE2
|
A:HIS147
|
4.3
|
18.3
|
1.0
|
C1
|
A:BEZ803
|
4.3
|
26.9
|
1.0
|
CG
|
A:GLU114
|
4.4
|
30.6
|
1.0
|
CG
|
A:GLU144
|
4.4
|
32.3
|
1.0
|
CD2
|
A:HIS147
|
4.4
|
18.4
|
1.0
|
C6
|
A:BEZ803
|
4.5
|
26.4
|
1.0
|
CA
|
A:GLU144
|
4.5
|
24.0
|
1.0
|
CE1
|
A:HIS246
|
4.6
|
24.5
|
1.0
|
CB
|
A:GLU114
|
4.6
|
27.9
|
1.0
|
OE2
|
A:GLU243
|
4.7
|
42.2
|
1.0
|
CD
|
A:GLU243
|
4.7
|
41.7
|
1.0
|
ND1
|
A:HIS246
|
4.7
|
24.6
|
1.0
|
CB
|
A:GLU144
|
4.7
|
27.7
|
1.0
|
CA
|
A:GLU114
|
4.7
|
24.2
|
1.0
|
CG1
|
A:VAL239
|
4.8
|
18.8
|
1.0
|
CB
|
A:ALA117
|
5.0
|
21.6
|
1.0
|
|
Iron binding site 2 out
of 4 in 7m8q
Go back to
Iron Binding Sites List in 7m8q
Iron binding site 2 out
of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe802
b:25.6
occ:1.00
|
O
|
A:HOH1243
|
1.9
|
24.8
|
1.0
|
OE2
|
A:GLU144
|
2.1
|
37.6
|
1.0
|
OE2
|
A:GLU243
|
2.2
|
42.2
|
1.0
|
OE2
|
A:GLU209
|
2.2
|
27.2
|
1.0
|
ND1
|
A:HIS246
|
2.2
|
24.6
|
1.0
|
O2
|
A:BEZ803
|
2.3
|
29.1
|
1.0
|
CE1
|
A:HIS246
|
3.1
|
24.5
|
1.0
|
CD
|
A:GLU243
|
3.1
|
41.7
|
1.0
|
C
|
A:BEZ803
|
3.1
|
28.7
|
1.0
|
CD
|
A:GLU144
|
3.1
|
35.4
|
1.0
|
CD
|
A:GLU209
|
3.2
|
27.4
|
1.0
|
O1
|
A:BEZ803
|
3.3
|
27.7
|
1.0
|
OE1
|
A:GLU243
|
3.3
|
44.4
|
1.0
|
CG
|
A:HIS246
|
3.3
|
24.4
|
1.0
|
FE
|
A:FE801
|
3.4
|
25.1
|
1.0
|
OE1
|
A:GLU144
|
3.5
|
36.5
|
1.0
|
CG
|
A:GLU209
|
3.6
|
25.7
|
1.0
|
CB
|
A:HIS246
|
3.8
|
23.9
|
1.0
|
OE1
|
A:GLU209
|
4.2
|
29.1
|
1.0
|
NE2
|
A:HIS246
|
4.2
|
24.8
|
1.0
|
C1
|
A:BEZ803
|
4.4
|
26.9
|
1.0
|
CD2
|
A:HIS246
|
4.4
|
25.2
|
1.0
|
NE2
|
A:GLN140
|
4.4
|
29.2
|
1.0
|
O
|
A:HOH1269
|
4.4
|
24.7
|
1.0
|
CG
|
A:GLU243
|
4.5
|
38.1
|
1.0
|
CG
|
A:GLU144
|
4.5
|
32.3
|
1.0
|
CB
|
A:GLU209
|
4.7
|
25.7
|
1.0
|
CE1
|
A:HIS147
|
4.8
|
19.5
|
1.0
|
C2
|
A:BEZ803
|
4.9
|
27.5
|
1.0
|
O
|
A:HOH1201
|
4.9
|
32.8
|
1.0
|
ND1
|
A:HIS147
|
4.9
|
19.3
|
1.0
|
CG
|
A:GLN140
|
4.9
|
24.3
|
1.0
|
CD
|
A:GLN140
|
4.9
|
27.3
|
1.0
|
|
Iron binding site 3 out
of 4 in 7m8q
Go back to
Iron Binding Sites List in 7m8q
Iron binding site 3 out
of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe801
b:26.6
occ:1.00
|
OE1
|
E:GLU114
|
2.0
|
37.4
|
1.0
|
O
|
E:HOH978
|
2.0
|
25.2
|
1.0
|
OE1
|
E:GLU144
|
2.0
|
40.7
|
1.0
|
O2
|
E:BEZ803
|
2.1
|
28.9
|
1.0
|
ND1
|
E:HIS147
|
2.2
|
22.1
|
1.0
|
O
|
E:HOH928
|
2.3
|
31.6
|
1.0
|
CD
|
E:GLU114
|
3.0
|
33.9
|
1.0
|
CE1
|
E:HIS147
|
3.0
|
21.4
|
1.0
|
CD
|
E:GLU144
|
3.0
|
38.6
|
1.0
|
C
|
E:BEZ803
|
3.2
|
29.4
|
1.0
|
OE2
|
E:GLU114
|
3.3
|
35.7
|
1.0
|
CG
|
E:HIS147
|
3.4
|
22.0
|
1.0
|
OE2
|
E:GLU144
|
3.4
|
41.5
|
1.0
|
FE
|
E:FE802
|
3.5
|
28.1
|
1.0
|
O1
|
E:BEZ803
|
3.7
|
29.4
|
1.0
|
CB
|
E:HIS147
|
3.8
|
20.5
|
1.0
|
OE1
|
E:GLU243
|
4.0
|
45.2
|
1.0
|
NE2
|
E:HIS147
|
4.2
|
21.8
|
1.0
|
C1
|
E:BEZ803
|
4.2
|
28.2
|
1.0
|
CG
|
E:GLU114
|
4.3
|
30.0
|
1.0
|
CG
|
E:GLU144
|
4.4
|
34.8
|
1.0
|
CD2
|
E:HIS147
|
4.4
|
21.5
|
1.0
|
C2
|
E:BEZ803
|
4.4
|
27.7
|
1.0
|
CA
|
E:GLU144
|
4.5
|
25.4
|
1.0
|
CE1
|
E:HIS246
|
4.6
|
39.0
|
1.0
|
CB
|
E:GLU114
|
4.6
|
28.5
|
1.0
|
OE2
|
E:GLU243
|
4.6
|
45.2
|
1.0
|
CB
|
E:GLU144
|
4.7
|
29.4
|
1.0
|
CA
|
E:GLU114
|
4.7
|
27.4
|
1.0
|
CD
|
E:GLU243
|
4.7
|
43.9
|
1.0
|
ND1
|
E:HIS246
|
4.8
|
40.2
|
1.0
|
CG1
|
E:VAL239
|
4.8
|
23.4
|
1.0
|
CB
|
E:ALA117
|
4.9
|
20.4
|
1.0
|
|
Iron binding site 4 out
of 4 in 7m8q
Go back to
Iron Binding Sites List in 7m8q
Iron binding site 4 out
of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe802
b:28.1
occ:1.00
|
O
|
E:HOH978
|
2.0
|
25.2
|
1.0
|
OE2
|
E:GLU144
|
2.2
|
41.5
|
1.0
|
ND1
|
E:HIS246
|
2.2
|
40.2
|
1.0
|
OE2
|
E:GLU243
|
2.2
|
45.2
|
1.0
|
O1
|
E:BEZ803
|
2.2
|
29.4
|
1.0
|
OE2
|
E:GLU209
|
2.3
|
30.8
|
1.0
|
CE1
|
E:HIS246
|
3.0
|
39.0
|
1.0
|
C
|
E:BEZ803
|
3.1
|
29.4
|
1.0
|
CD
|
E:GLU144
|
3.2
|
38.6
|
1.0
|
CD
|
E:GLU243
|
3.2
|
43.9
|
1.0
|
CD
|
E:GLU209
|
3.2
|
30.8
|
1.0
|
O2
|
E:BEZ803
|
3.3
|
28.9
|
1.0
|
CG
|
E:HIS246
|
3.3
|
39.5
|
1.0
|
OE1
|
E:GLU144
|
3.5
|
40.7
|
1.0
|
FE
|
E:FE801
|
3.5
|
26.6
|
1.0
|
OE1
|
E:GLU243
|
3.5
|
45.2
|
1.0
|
CG
|
E:GLU209
|
3.6
|
29.7
|
1.0
|
CB
|
E:HIS246
|
3.8
|
37.4
|
1.0
|
NE2
|
E:HIS246
|
4.2
|
39.0
|
1.0
|
OE1
|
E:GLU209
|
4.3
|
32.8
|
1.0
|
CD2
|
E:HIS246
|
4.4
|
39.5
|
1.0
|
C1
|
E:BEZ803
|
4.4
|
28.2
|
1.0
|
NE2
|
E:GLN140
|
4.4
|
29.8
|
1.0
|
CG
|
E:GLU144
|
4.5
|
34.8
|
1.0
|
CG
|
E:GLU243
|
4.5
|
41.1
|
1.0
|
O
|
E:HOH928
|
4.6
|
31.6
|
1.0
|
CB
|
E:GLU209
|
4.7
|
30.5
|
1.0
|
CE1
|
E:HIS147
|
4.8
|
21.4
|
1.0
|
C6
|
E:BEZ803
|
4.9
|
28.3
|
1.0
|
CG
|
E:GLN140
|
4.9
|
25.4
|
1.0
|
CD
|
E:GLN140
|
4.9
|
28.2
|
1.0
|
ND1
|
E:HIS147
|
5.0
|
22.1
|
1.0
|
|
Reference:
J.C.Jones,
R.Banerjee,
K.Shi,
M.M.Semonis,
H.Aihara,
W.C.K.Pomerantz,
J.D.Lipscomb.
Soluble Methane Monooxygenase Component Interactions Monitored By 19 F uc(Nmr). Biochemistry V. 60 1995 2021.
ISSN: ISSN 0006-2960
PubMed: 34100595
DOI: 10.1021/ACS.BIOCHEM.1C00293
Page generated: Thu Aug 8 08:17:17 2024
|