Iron in PDB 6r2q: Structure of the Mtr Complex
Protein crystallography data
The structure of Structure of the Mtr Complex, PDB code: 6r2q
was solved by
T.A.Clarke,
M.J.Edwards,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
73.25 /
2.70
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
212.042,
234.165,
99.192,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.4 /
25.7
|
Other elements in 6r2q:
The structure of Structure of the Mtr Complex also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Binding sites:
The binding sites of Iron atom in the Structure of the Mtr Complex
(pdb code 6r2q). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the
Structure of the Mtr Complex, PDB code: 6r2q:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 20 in 6r2q
Go back to
Iron Binding Sites List in 6r2q
Iron binding site 1 out
of 20 in the Structure of the Mtr Complex
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 Mtr Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe901
b:0.1
occ:1.00
|
FE
|
A:HEC901
|
0.0
|
0.1
|
1.0
|
NA
|
A:HEC901
|
1.9
|
0.7
|
1.0
|
NB
|
A:HEC901
|
2.1
|
0.6
|
1.0
|
NE2
|
A:HIS71
|
2.1
|
0.4
|
1.0
|
NE2
|
A:HIS110
|
2.1
|
0.8
|
1.0
|
NC
|
A:HEC901
|
2.1
|
0.4
|
1.0
|
ND
|
A:HEC901
|
2.2
|
0.7
|
1.0
|
C4A
|
A:HEC901
|
2.9
|
0.8
|
1.0
|
C1A
|
A:HEC901
|
3.0
|
0.3
|
1.0
|
C1B
|
A:HEC901
|
3.0
|
0.4
|
1.0
|
CE1
|
A:HIS71
|
3.0
|
0.3
|
1.0
|
CE1
|
A:HIS110
|
3.1
|
0.5
|
1.0
|
C4D
|
A:HEC901
|
3.1
|
0.0
|
1.0
|
C4B
|
A:HEC901
|
3.1
|
0.6
|
1.0
|
CD2
|
A:HIS71
|
3.1
|
0.8
|
1.0
|
C1C
|
A:HEC901
|
3.2
|
0.2
|
1.0
|
CD2
|
A:HIS110
|
3.2
|
0.4
|
1.0
|
HE1
|
A:HIS71
|
3.2
|
0.3
|
1.0
|
C4C
|
A:HEC901
|
3.2
|
0.1
|
1.0
|
HE1
|
A:HIS110
|
3.2
|
0.8
|
1.0
|
C1D
|
A:HEC901
|
3.2
|
0.4
|
1.0
|
CHB
|
A:HEC901
|
3.3
|
0.1
|
1.0
|
HD2
|
A:HIS71
|
3.4
|
0.8
|
1.0
|
HD2
|
A:HIS110
|
3.4
|
0.7
|
1.0
|
CHA
|
A:HEC901
|
3.4
|
0.9
|
1.0
|
CHC
|
A:HEC901
|
3.5
|
0.7
|
1.0
|
CHD
|
A:HEC901
|
3.6
|
0.9
|
1.0
|
ND1
|
A:HIS71
|
4.2
|
0.1
|
1.0
|
C3A
|
A:HEC901
|
4.2
|
0.3
|
1.0
|
C2A
|
A:HEC901
|
4.2
|
0.9
|
1.0
|
ND1
|
A:HIS110
|
4.2
|
0.3
|
1.0
|
CG
|
A:HIS71
|
4.3
|
0.3
|
1.0
|
C2B
|
A:HEC901
|
4.3
|
0.7
|
1.0
|
CG
|
A:HIS110
|
4.3
|
0.4
|
1.0
|
HHB
|
A:HEC901
|
4.3
|
0.3
|
1.0
|
C3B
|
A:HEC901
|
4.4
|
0.8
|
1.0
|
C3D
|
A:HEC901
|
4.4
|
0.7
|
1.0
|
HHA
|
A:HEC901
|
4.4
|
0.7
|
1.0
|
C2C
|
A:HEC901
|
4.4
|
0.5
|
1.0
|
C3C
|
A:HEC901
|
4.4
|
0.8
|
1.0
|
C2D
|
A:HEC901
|
4.4
|
0.4
|
1.0
|
HHC
|
A:HEC901
|
4.5
|
0.3
|
1.0
|
HHD
|
A:HEC901
|
4.6
|
0.9
|
1.0
|
HD1
|
A:HIS71
|
4.9
|
0.1
|
1.0
|
HD1
|
A:HIS110
|
5.0
|
1.0
|
1.0
|
|
Iron binding site 2 out
of 20 in 6r2q
Go back to
Iron Binding Sites List in 6r2q
Iron binding site 2 out
of 20 in the Structure of the Mtr Complex
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 Mtr Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe902
b:0.2
occ:1.00
|
FE
|
A:HEC902
|
0.0
|
0.2
|
1.0
|
NA
|
A:HEC902
|
2.1
|
1.0
|
1.0
|
NB
|
A:HEC902
|
2.1
|
0.1
|
1.0
|
NC
|
A:HEC902
|
2.1
|
0.0
|
1.0
|
NE2
|
A:HIS167
|
2.1
|
1.0
|
1.0
|
ND
|
A:HEC902
|
2.1
|
0.3
|
1.0
|
NE2
|
A:HIS104
|
2.2
|
0.0
|
1.0
|
CE1
|
A:HIS167
|
3.0
|
0.9
|
1.0
|
C4A
|
A:HEC902
|
3.1
|
0.1
|
1.0
|
C1A
|
A:HEC902
|
3.1
|
0.3
|
1.0
|
C4B
|
A:HEC902
|
3.1
|
0.8
|
1.0
|
C1C
|
A:HEC902
|
3.1
|
0.0
|
1.0
|
C1B
|
A:HEC902
|
3.1
|
0.2
|
1.0
|
C1D
|
A:HEC902
|
3.1
|
0.4
|
1.0
|
C4D
|
A:HEC902
|
3.1
|
0.9
|
1.0
|
CE1
|
A:HIS104
|
3.1
|
0.6
|
1.0
|
CD2
|
A:HIS167
|
3.1
|
99.5
|
1.0
|
C4C
|
A:HEC902
|
3.2
|
97.7
|
1.0
|
HE1
|
A:HIS167
|
3.2
|
0.3
|
1.0
|
CD2
|
A:HIS104
|
3.2
|
0.6
|
1.0
|
HE1
|
A:HIS104
|
3.3
|
0.3
|
1.0
|
HD2
|
A:HIS167
|
3.4
|
0.9
|
1.0
|
HD2
|
A:HIS104
|
3.4
|
0.5
|
1.0
|
CHC
|
A:HEC902
|
3.4
|
0.9
|
1.0
|
CHB
|
A:HEC902
|
3.4
|
0.1
|
1.0
|
CHA
|
A:HEC902
|
3.5
|
96.2
|
1.0
|
CHD
|
A:HEC902
|
3.5
|
98.6
|
1.0
|
HMA3
|
A:HEC901
|
4.1
|
0.8
|
1.0
|
ND1
|
A:HIS167
|
4.2
|
1.0
|
1.0
|
CG
|
A:HIS167
|
4.3
|
0.6
|
1.0
|
ND1
|
A:HIS104
|
4.3
|
0.7
|
1.0
|
C3A
|
A:HEC902
|
4.3
|
0.7
|
1.0
|
C2A
|
A:HEC902
|
4.3
|
0.3
|
1.0
|
C2B
|
A:HEC902
|
4.3
|
0.1
|
1.0
|
C2D
|
A:HEC902
|
4.3
|
0.5
|
1.0
|
C3B
|
A:HEC902
|
4.3
|
0.0
|
1.0
|
C2C
|
A:HEC902
|
4.3
|
0.6
|
1.0
|
C3D
|
A:HEC902
|
4.3
|
0.4
|
1.0
|
CG
|
A:HIS104
|
4.3
|
0.4
|
1.0
|
C3C
|
A:HEC902
|
4.4
|
0.1
|
1.0
|
HHC
|
A:HEC902
|
4.4
|
0.1
|
1.0
|
HHB
|
A:HEC902
|
4.4
|
0.1
|
1.0
|
HHA
|
A:HEC902
|
4.4
|
0.0
|
1.0
|
HHD
|
A:HEC902
|
4.5
|
0.9
|
1.0
|
HZ
|
A:PHE81
|
4.6
|
0.7
|
1.0
|
HD1
|
A:HIS167
|
4.9
|
0.6
|
1.0
|
HB2
|
A:CYS103
|
4.9
|
0.6
|
1.0
|
|
Iron binding site 3 out
of 20 in 6r2q
Go back to
Iron Binding Sites List in 6r2q
Iron binding site 3 out
of 20 in the Structure of the Mtr Complex
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 Mtr Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe903
b:87.6
occ:1.00
|
FE
|
A:HEC903
|
0.0
|
87.6
|
1.0
|
NC
|
A:HEC903
|
1.9
|
96.8
|
1.0
|
NB
|
A:HEC903
|
2.0
|
94.4
|
1.0
|
NE2
|
A:HIS140
|
2.1
|
85.3
|
1.0
|
NE2
|
A:HIS85
|
2.1
|
86.8
|
1.0
|
ND
|
A:HEC903
|
2.2
|
94.7
|
1.0
|
NA
|
A:HEC903
|
2.2
|
0.9
|
1.0
|
C1C
|
A:HEC903
|
2.9
|
95.4
|
1.0
|
C4C
|
A:HEC903
|
2.9
|
99.0
|
1.0
|
C4B
|
A:HEC903
|
3.0
|
96.0
|
1.0
|
CE1
|
A:HIS140
|
3.0
|
94.7
|
1.0
|
CE1
|
A:HIS85
|
3.0
|
85.0
|
1.0
|
C1B
|
A:HEC903
|
3.1
|
0.6
|
1.0
|
C1D
|
A:HEC903
|
3.1
|
91.8
|
1.0
|
CD2
|
A:HIS140
|
3.1
|
84.8
|
1.0
|
HE1
|
A:HIS140
|
3.2
|
0.3
|
1.0
|
CD2
|
A:HIS85
|
3.2
|
95.9
|
1.0
|
HE1
|
A:HIS85
|
3.2
|
0.6
|
1.0
|
C4A
|
A:HEC903
|
3.2
|
95.9
|
1.0
|
CHD
|
A:HEC903
|
3.3
|
0.3
|
1.0
|
C4D
|
A:HEC903
|
3.3
|
97.4
|
1.0
|
HD2
|
A:HIS140
|
3.3
|
0.4
|
1.0
|
CHC
|
A:HEC903
|
3.3
|
96.5
|
1.0
|
C1A
|
A:HEC903
|
3.3
|
96.1
|
1.0
|
HD2
|
A:HIS85
|
3.4
|
0.7
|
1.0
|
CHB
|
A:HEC903
|
3.5
|
0.5
|
1.0
|
CHA
|
A:HEC903
|
3.7
|
98.9
|
1.0
|
C2C
|
A:HEC903
|
4.1
|
94.3
|
1.0
|
ND1
|
A:HIS140
|
4.1
|
87.8
|
1.0
|
C3C
|
A:HEC903
|
4.1
|
97.4
|
1.0
|
ND1
|
A:HIS85
|
4.2
|
92.5
|
1.0
|
CG
|
A:HIS140
|
4.2
|
85.0
|
1.0
|
C3B
|
A:HEC903
|
4.2
|
93.8
|
1.0
|
C2B
|
A:HEC903
|
4.2
|
0.3
|
1.0
|
CG
|
A:HIS85
|
4.3
|
0.1
|
1.0
|
HHD
|
A:HEC903
|
4.3
|
1.0
|
1.0
|
HHC
|
A:HEC903
|
4.3
|
0.4
|
1.0
|
C2D
|
A:HEC903
|
4.4
|
93.5
|
1.0
|
HHB
|
A:HEC903
|
4.4
|
1.0
|
1.0
|
C3A
|
A:HEC903
|
4.5
|
76.3
|
1.0
|
C3D
|
A:HEC903
|
4.5
|
88.6
|
1.0
|
C2A
|
A:HEC903
|
4.5
|
89.3
|
1.0
|
HMA3
|
A:HEC904
|
4.6
|
0.9
|
1.0
|
HHA
|
A:HEC903
|
4.7
|
0.3
|
1.0
|
HD1
|
A:HIS140
|
4.9
|
0.0
|
1.0
|
HD1
|
A:HIS85
|
4.9
|
0.6
|
1.0
|
HBC3
|
A:HEC902
|
4.9
|
0.5
|
1.0
|
|
Iron binding site 4 out
of 20 in 6r2q
Go back to
Iron Binding Sites List in 6r2q
Iron binding site 4 out
of 20 in the Structure of the Mtr Complex
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 Mtr Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe904
b:63.8
occ:1.00
|
FE
|
A:HEC904
|
0.0
|
63.8
|
1.0
|
NC
|
A:HEC904
|
1.9
|
55.9
|
1.0
|
NB
|
A:HEC904
|
2.0
|
75.2
|
1.0
|
NE2
|
A:HIS164
|
2.1
|
66.3
|
1.0
|
NE2
|
A:HIS216
|
2.1
|
66.9
|
1.0
|
ND
|
A:HEC904
|
2.1
|
65.5
|
1.0
|
NA
|
A:HEC904
|
2.2
|
77.4
|
1.0
|
C1C
|
A:HEC904
|
2.9
|
53.0
|
1.0
|
C4C
|
A:HEC904
|
2.9
|
54.4
|
1.0
|
C4B
|
A:HEC904
|
3.0
|
64.5
|
1.0
|
C1D
|
A:HEC904
|
3.0
|
60.5
|
1.0
|
CE1
|
A:HIS164
|
3.0
|
70.3
|
1.0
|
CE1
|
A:HIS216
|
3.1
|
67.0
|
1.0
|
C1B
|
A:HEC904
|
3.1
|
81.4
|
1.0
|
CD2
|
A:HIS164
|
3.1
|
66.4
|
1.0
|
CD2
|
A:HIS216
|
3.1
|
67.0
|
1.0
|
HE1
|
A:HIS164
|
3.2
|
85.0
|
1.0
|
C4A
|
A:HEC904
|
3.2
|
83.6
|
1.0
|
HE1
|
A:HIS216
|
3.2
|
81.0
|
1.0
|
C1A
|
A:HEC904
|
3.2
|
76.8
|
1.0
|
C4D
|
A:HEC904
|
3.2
|
64.2
|
1.0
|
CHD
|
A:HEC904
|
3.3
|
53.3
|
1.0
|
CHC
|
A:HEC904
|
3.3
|
58.1
|
1.0
|
HD2
|
A:HIS216
|
3.3
|
81.0
|
1.0
|
HD2
|
A:HIS164
|
3.3
|
80.3
|
1.0
|
CHB
|
A:HEC904
|
3.5
|
81.2
|
1.0
|
CHA
|
A:HEC904
|
3.6
|
71.0
|
1.0
|
C2C
|
A:HEC904
|
4.1
|
51.1
|
1.0
|
C3C
|
A:HEC904
|
4.1
|
50.5
|
1.0
|
ND1
|
A:HIS164
|
4.2
|
78.2
|
1.0
|
ND1
|
A:HIS216
|
4.2
|
60.1
|
1.0
|
C3B
|
A:HEC904
|
4.2
|
66.7
|
1.0
|
CG
|
A:HIS164
|
4.2
|
75.8
|
1.0
|
HHD
|
A:HEC904
|
4.2
|
64.6
|
1.0
|
CG
|
A:HIS216
|
4.3
|
60.4
|
1.0
|
HHC
|
A:HEC904
|
4.3
|
70.3
|
1.0
|
C2B
|
A:HEC904
|
4.3
|
76.3
|
1.0
|
C2D
|
A:HEC904
|
4.3
|
59.6
|
1.0
|
C3D
|
A:HEC904
|
4.4
|
66.0
|
1.0
|
C3A
|
A:HEC904
|
4.4
|
88.0
|
1.0
|
C2A
|
A:HEC904
|
4.4
|
83.7
|
1.0
|
HD2
|
A:ARG145
|
4.4
|
78.4
|
1.0
|
HHB
|
A:HEC904
|
4.5
|
98.0
|
1.0
|
HHA
|
A:HEC904
|
4.6
|
85.8
|
1.0
|
HMA3
|
A:HEC903
|
4.6
|
0.3
|
1.0
|
HG2
|
A:PRO215
|
4.7
|
63.9
|
1.0
|
HD1
|
A:HIS164
|
4.9
|
94.5
|
1.0
|
HD1
|
A:HIS216
|
5.0
|
72.7
|
1.0
|
HH11
|
A:ARG145
|
5.0
|
0.7
|
1.0
|
|
Iron binding site 5 out
of 20 in 6r2q
Go back to
Iron Binding Sites List in 6r2q
Iron binding site 5 out
of 20 in the Structure of the Mtr Complex
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 Mtr Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe905
b:39.6
occ:1.00
|
FE
|
A:HEC905
|
0.0
|
39.6
|
1.0
|
NC
|
A:HEC905
|
1.9
|
47.8
|
1.0
|
ND
|
A:HEC905
|
2.0
|
41.7
|
1.0
|
NB
|
A:HEC905
|
2.1
|
41.8
|
1.0
|
NE2
|
A:HIS187
|
2.1
|
43.1
|
1.0
|
NE2
|
A:HIS153
|
2.1
|
40.3
|
1.0
|
NA
|
A:HEC905
|
2.1
|
58.2
|
1.0
|
C4C
|
A:HEC905
|
2.9
|
45.5
|
1.0
|
C1C
|
A:HEC905
|
3.0
|
59.8
|
1.0
|
C1D
|
A:HEC905
|
3.0
|
44.1
|
1.0
|
CE1
|
A:HIS187
|
3.0
|
39.6
|
1.0
|
CE1
|
A:HIS153
|
3.0
|
47.8
|
1.0
|
C1B
|
A:HEC905
|
3.1
|
41.6
|
1.0
|
C4B
|
A:HEC905
|
3.1
|
44.3
|
1.0
|
CD2
|
A:HIS187
|
3.1
|
47.7
|
1.0
|
CD2
|
A:HIS153
|
3.1
|
55.1
|
1.0
|
C4D
|
A:HEC905
|
3.1
|
46.2
|
1.0
|
C4A
|
A:HEC905
|
3.1
|
47.3
|
1.0
|
HE1
|
A:HIS187
|
3.1
|
48.1
|
1.0
|
HE1
|
A:HIS153
|
3.2
|
58.0
|
1.0
|
C1A
|
A:HEC905
|
3.2
|
52.6
|
1.0
|
HD2
|
A:HIS187
|
3.3
|
57.9
|
1.0
|
HD2
|
A:HIS153
|
3.3
|
66.7
|
1.0
|
CHD
|
A:HEC905
|
3.3
|
40.5
|
1.0
|
CHC
|
A:HEC905
|
3.4
|
56.2
|
1.0
|
CHB
|
A:HEC905
|
3.4
|
43.9
|
1.0
|
CHA
|
A:HEC905
|
3.5
|
54.1
|
1.0
|
ND1
|
A:HIS187
|
4.1
|
46.0
|
1.0
|
ND1
|
A:HIS153
|
4.2
|
51.2
|
1.0
|
C3C
|
A:HEC905
|
4.2
|
62.9
|
1.0
|
C2C
|
A:HEC905
|
4.2
|
60.6
|
1.0
|
CG
|
A:HIS187
|
4.2
|
47.2
|
1.0
|
CG
|
A:HIS153
|
4.2
|
47.8
|
1.0
|
C2D
|
A:HEC905
|
4.3
|
47.2
|
1.0
|
HHD
|
A:HEC905
|
4.3
|
49.2
|
1.0
|
C2B
|
A:HEC905
|
4.3
|
45.3
|
1.0
|
C3D
|
A:HEC905
|
4.3
|
51.0
|
1.0
|
C3B
|
A:HEC905
|
4.3
|
41.1
|
1.0
|
C3A
|
A:HEC905
|
4.4
|
41.7
|
1.0
|
HHC
|
A:HEC905
|
4.4
|
68.1
|
1.0
|
HHB
|
A:HEC905
|
4.4
|
53.2
|
1.0
|
C2A
|
A:HEC905
|
4.4
|
39.1
|
1.0
|
HHA
|
A:HEC905
|
4.5
|
65.6
|
1.0
|
HD1
|
A:HIS187
|
4.9
|
55.8
|
1.0
|
HD1
|
A:HIS153
|
4.9
|
62.0
|
1.0
|
HB2
|
A:CYS186
|
5.0
|
76.4
|
1.0
|
HMA3
|
A:HEC906
|
5.0
|
60.3
|
1.0
|
|
Iron binding site 6 out
of 20 in 6r2q
Go back to
Iron Binding Sites List in 6r2q
Iron binding site 6 out
of 20 in the Structure of the Mtr Complex
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 Mtr Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe906
b:34.0
occ:1.00
|
FE
|
A:HEC906
|
0.0
|
34.0
|
1.0
|
NB
|
A:HEC906
|
1.9
|
40.1
|
1.0
|
NC
|
A:HEC906
|
2.0
|
35.1
|
1.0
|
ND
|
A:HEC906
|
2.1
|
39.1
|
1.0
|
NA
|
A:HEC906
|
2.1
|
35.2
|
1.0
|
NE2
|
A:HIS213
|
2.1
|
35.1
|
1.0
|
NE2
|
A:HIS262
|
2.1
|
27.9
|
1.0
|
C4B
|
A:HEC906
|
3.0
|
38.8
|
1.0
|
C1B
|
A:HEC906
|
3.0
|
41.5
|
1.0
|
C4C
|
A:HEC906
|
3.0
|
34.7
|
1.0
|
C1C
|
A:HEC906
|
3.0
|
31.4
|
1.0
|
CE1
|
A:HIS262
|
3.0
|
36.1
|
1.0
|
CE1
|
A:HIS213
|
3.0
|
39.9
|
1.0
|
C1D
|
A:HEC906
|
3.1
|
33.0
|
1.0
|
C4A
|
A:HEC906
|
3.1
|
39.2
|
1.0
|
C4D
|
A:HEC906
|
3.1
|
48.4
|
1.0
|
CD2
|
A:HIS262
|
3.1
|
36.4
|
1.0
|
CD2
|
A:HIS213
|
3.1
|
34.4
|
1.0
|
C1A
|
A:HEC906
|
3.1
|
41.7
|
1.0
|
HE1
|
A:HIS262
|
3.2
|
43.9
|
1.0
|
HE1
|
A:HIS213
|
3.2
|
48.5
|
1.0
|
HD2
|
A:HIS262
|
3.3
|
44.3
|
1.0
|
HD2
|
A:HIS213
|
3.3
|
41.9
|
1.0
|
CHC
|
A:HEC906
|
3.4
|
34.5
|
1.0
|
CHB
|
A:HEC906
|
3.4
|
35.9
|
1.0
|
CHD
|
A:HEC906
|
3.4
|
37.8
|
1.0
|
CHA
|
A:HEC906
|
3.5
|
52.0
|
1.0
|
ND1
|
A:HIS213
|
4.1
|
45.0
|
1.0
|
ND1
|
A:HIS262
|
4.1
|
44.3
|
1.0
|
C2B
|
A:HEC906
|
4.2
|
38.1
|
1.0
|
C3B
|
A:HEC906
|
4.2
|
41.8
|
1.0
|
CG
|
A:HIS213
|
4.2
|
30.9
|
1.0
|
CG
|
A:HIS262
|
4.2
|
38.4
|
1.0
|
C3C
|
A:HEC906
|
4.2
|
40.6
|
1.0
|
C2C
|
A:HEC906
|
4.2
|
39.9
|
1.0
|
C2D
|
A:HEC906
|
4.3
|
30.0
|
1.0
|
C3D
|
A:HEC906
|
4.3
|
36.4
|
1.0
|
C3A
|
A:HEC906
|
4.3
|
40.4
|
1.0
|
C2A
|
A:HEC906
|
4.3
|
48.8
|
1.0
|
HHB
|
A:HEC906
|
4.3
|
43.7
|
1.0
|
HHC
|
A:HEC906
|
4.3
|
42.0
|
1.0
|
HHD
|
A:HEC906
|
4.4
|
46.0
|
1.0
|
HE21
|
A:GLN190
|
4.4
|
70.0
|
1.0
|
HHA
|
A:HEC906
|
4.5
|
63.0
|
1.0
|
HMA3
|
A:HEC905
|
4.5
|
58.5
|
1.0
|
HG2
|
A:PRO261
|
4.7
|
63.1
|
1.0
|
HG2
|
A:GLN190
|
4.7
|
53.7
|
1.0
|
HD1
|
A:HIS213
|
4.9
|
54.7
|
1.0
|
HD1
|
A:HIS262
|
4.9
|
53.8
|
1.0
|
HB2
|
A:CYS212
|
5.0
|
52.2
|
1.0
|
|
Iron binding site 7 out
of 20 in 6r2q
Go back to
Iron Binding Sites List in 6r2q
Iron binding site 7 out
of 20 in the Structure of the Mtr Complex
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 Mtr Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe907
b:27.1
occ:1.00
|
FE
|
A:HEC907
|
0.0
|
27.1
|
1.0
|
NB
|
A:HEC907
|
1.9
|
24.7
|
1.0
|
NA
|
A:HEC907
|
2.0
|
22.4
|
1.0
|
NC
|
A:HEC907
|
2.1
|
28.5
|
1.0
|
ND
|
A:HEC907
|
2.1
|
28.5
|
1.0
|
NE2
|
A:HIS237
|
2.1
|
35.9
|
1.0
|
NE2
|
A:HIS200
|
2.1
|
39.6
|
1.0
|
C1B
|
A:HEC907
|
2.9
|
25.6
|
1.0
|
C4A
|
A:HEC907
|
2.9
|
33.4
|
1.0
|
C4B
|
A:HEC907
|
3.0
|
24.6
|
1.0
|
CE1
|
A:HIS237
|
3.0
|
41.4
|
1.0
|
CE1
|
A:HIS200
|
3.0
|
34.4
|
1.0
|
C1D
|
A:HEC907
|
3.1
|
33.5
|
1.0
|
C4C
|
A:HEC907
|
3.1
|
33.5
|
1.0
|
C1C
|
A:HEC907
|
3.1
|
26.6
|
1.0
|
CD2
|
A:HIS200
|
3.1
|
41.6
|
1.0
|
CD2
|
A:HIS237
|
3.1
|
36.5
|
1.0
|
C4D
|
A:HEC907
|
3.1
|
27.6
|
1.0
|
C1A
|
A:HEC907
|
3.1
|
25.1
|
1.0
|
HE1
|
A:HIS237
|
3.2
|
50.3
|
1.0
|
HE1
|
A:HIS200
|
3.2
|
41.9
|
1.0
|
CHB
|
A:HEC907
|
3.2
|
24.4
|
1.0
|
HD2
|
A:HIS200
|
3.3
|
50.5
|
1.0
|
HD2
|
A:HIS237
|
3.3
|
44.4
|
1.0
|
CHC
|
A:HEC907
|
3.4
|
32.0
|
1.0
|
CHD
|
A:HEC907
|
3.4
|
33.2
|
1.0
|
CHA
|
A:HEC907
|
3.5
|
26.5
|
1.0
|
C2B
|
A:HEC907
|
4.1
|
29.5
|
1.0
|
C3B
|
A:HEC907
|
4.2
|
22.1
|
1.0
|
ND1
|
A:HIS237
|
4.2
|
51.9
|
1.0
|
ND1
|
A:HIS200
|
4.2
|
40.5
|
1.0
|
C3A
|
A:HEC907
|
4.2
|
30.9
|
1.0
|
HHB
|
A:HEC907
|
4.2
|
29.9
|
1.0
|
CG
|
A:HIS237
|
4.2
|
40.8
|
1.0
|
CG
|
A:HIS200
|
4.2
|
39.0
|
1.0
|
C2A
|
A:HEC907
|
4.3
|
24.2
|
1.0
|
C2D
|
A:HEC907
|
4.3
|
38.4
|
1.0
|
C3C
|
A:HEC907
|
4.3
|
26.3
|
1.0
|
C3D
|
A:HEC907
|
4.3
|
33.9
|
1.0
|
C2C
|
A:HEC907
|
4.3
|
20.2
|
1.0
|
HHC
|
A:HEC907
|
4.4
|
39.0
|
1.0
|
HHD
|
A:HEC907
|
4.4
|
40.5
|
1.0
|
HMA3
|
A:HEC908
|
4.4
|
38.8
|
1.0
|
HHA
|
A:HEC907
|
4.5
|
32.4
|
1.0
|
HB2
|
A:CYS236
|
4.7
|
53.9
|
1.0
|
HBC1
|
A:HEC906
|
4.8
|
47.4
|
1.0
|
HD1
|
A:HIS237
|
4.9
|
62.8
|
1.0
|
HD1
|
A:HIS200
|
4.9
|
49.2
|
1.0
|
HE1
|
A:MET207
|
5.0
|
37.4
|
1.0
|
|
Iron binding site 8 out
of 20 in 6r2q
Go back to
Iron Binding Sites List in 6r2q
Iron binding site 8 out
of 20 in the Structure of the Mtr Complex
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 Mtr Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe908
b:21.9
occ:1.00
|
FE
|
A:HEC908
|
0.0
|
21.9
|
1.0
|
NC
|
A:HEC908
|
1.9
|
21.1
|
1.0
|
NE2
|
A:HIS321
|
1.9
|
32.6
|
1.0
|
NB
|
A:HEC908
|
1.9
|
20.6
|
1.0
|
NE2
|
A:HIS259
|
2.1
|
28.1
|
1.0
|
ND
|
A:HEC908
|
2.1
|
22.0
|
1.0
|
NA
|
A:HEC908
|
2.1
|
29.9
|
1.0
|
CE1
|
A:HIS321
|
2.9
|
30.8
|
1.0
|
C4B
|
A:HEC908
|
2.9
|
28.3
|
1.0
|
C1C
|
A:HEC908
|
2.9
|
24.2
|
1.0
|
C4C
|
A:HEC908
|
2.9
|
17.6
|
1.0
|
CD2
|
A:HIS321
|
3.0
|
33.9
|
1.0
|
C1B
|
A:HEC908
|
3.0
|
26.1
|
1.0
|
C1D
|
A:HEC908
|
3.0
|
20.5
|
1.0
|
CE1
|
A:HIS259
|
3.0
|
25.8
|
1.0
|
HE1
|
A:HIS321
|
3.0
|
37.5
|
1.0
|
CD2
|
A:HIS259
|
3.1
|
30.5
|
1.0
|
C1A
|
A:HEC908
|
3.1
|
32.9
|
1.0
|
C4D
|
A:HEC908
|
3.1
|
28.6
|
1.0
|
C4A
|
A:HEC908
|
3.2
|
26.1
|
1.0
|
HE1
|
A:HIS259
|
3.2
|
31.6
|
1.0
|
HD2
|
A:HIS321
|
3.2
|
41.3
|
1.0
|
HD2
|
A:HIS259
|
3.3
|
37.2
|
1.0
|
CHC
|
A:HEC908
|
3.3
|
25.4
|
1.0
|
CHD
|
A:HEC908
|
3.3
|
22.6
|
1.0
|
CHB
|
A:HEC908
|
3.5
|
22.2
|
1.0
|
CHA
|
A:HEC908
|
3.5
|
31.3
|
1.0
|
ND1
|
A:HIS321
|
4.0
|
34.8
|
1.0
|
CG
|
A:HIS321
|
4.1
|
35.6
|
1.0
|
ND1
|
A:HIS259
|
4.1
|
31.9
|
1.0
|
C3B
|
A:HEC908
|
4.1
|
31.1
|
1.0
|
C2C
|
A:HEC908
|
4.2
|
16.1
|
1.0
|
C3C
|
A:HEC908
|
4.2
|
13.3
|
1.0
|
C2B
|
A:HEC908
|
4.2
|
26.4
|
1.0
|
CG
|
A:HIS259
|
4.2
|
29.9
|
1.0
|
HMA3
|
A:HEC907
|
4.2
|
40.8
|
1.0
|
HHC
|
A:HEC908
|
4.3
|
31.1
|
1.0
|
C2D
|
A:HEC908
|
4.3
|
24.1
|
1.0
|
HHD
|
A:HEC908
|
4.3
|
27.7
|
1.0
|
C2A
|
A:HEC908
|
4.3
|
36.9
|
1.0
|
C3D
|
A:HEC908
|
4.4
|
20.6
|
1.0
|
HE3
|
A:LYS240
|
4.4
|
41.8
|
1.0
|
C3A
|
A:HEC908
|
4.4
|
24.3
|
1.0
|
HHB
|
A:HEC908
|
4.4
|
27.2
|
1.0
|
HD21
|
A:LEU270
|
4.5
|
41.4
|
1.0
|
HHA
|
A:HEC908
|
4.5
|
38.1
|
1.0
|
HG13
|
A:VAL320
|
4.6
|
28.3
|
1.0
|
HD1
|
A:HIS321
|
4.8
|
42.4
|
1.0
|
HD2
|
A:LYS240
|
4.8
|
38.0
|
1.0
|
HD1
|
A:HIS259
|
4.9
|
38.9
|
1.0
|
|
Iron binding site 9 out
of 20 in 6r2q
Go back to
Iron Binding Sites List in 6r2q
Iron binding site 9 out
of 20 in the Structure of the Mtr Complex
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 Mtr Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe909
b:19.1
occ:1.00
|
FE
|
A:HEC909
|
0.0
|
19.1
|
1.0
|
NA
|
A:HEC909
|
1.9
|
37.4
|
1.0
|
ND
|
A:HEC909
|
2.0
|
30.0
|
1.0
|
NB
|
A:HEC909
|
2.0
|
25.4
|
1.0
|
NE2
|
A:HIS282
|
2.1
|
21.4
|
1.0
|
NE2
|
A:HIS248
|
2.1
|
20.5
|
1.0
|
NC
|
A:HEC909
|
2.1
|
26.3
|
1.0
|
C1A
|
A:HEC909
|
2.9
|
33.5
|
1.0
|
C4D
|
A:HEC909
|
2.9
|
31.3
|
1.0
|
CE1
|
A:HIS282
|
2.9
|
30.5
|
1.0
|
C4A
|
A:HEC909
|
3.0
|
29.7
|
1.0
|
CE1
|
A:HIS248
|
3.0
|
30.2
|
1.0
|
C1B
|
A:HEC909
|
3.0
|
34.6
|
1.0
|
CD2
|
A:HIS282
|
3.1
|
31.8
|
1.0
|
HE1
|
A:HIS282
|
3.1
|
37.2
|
1.0
|
C4B
|
A:HEC909
|
3.1
|
30.4
|
1.0
|
C1D
|
A:HEC909
|
3.1
|
31.2
|
1.0
|
CD2
|
A:HIS248
|
3.1
|
24.6
|
1.0
|
C1C
|
A:HEC909
|
3.1
|
27.9
|
1.0
|
HE1
|
A:HIS248
|
3.2
|
36.9
|
1.0
|
C4C
|
A:HEC909
|
3.2
|
32.8
|
1.0
|
CHA
|
A:HEC909
|
3.3
|
30.1
|
1.0
|
HD2
|
A:HIS248
|
3.3
|
30.1
|
1.0
|
HD2
|
A:HIS282
|
3.3
|
38.7
|
1.0
|
CHB
|
A:HEC909
|
3.4
|
35.0
|
1.0
|
CHC
|
A:HEC909
|
3.5
|
28.5
|
1.0
|
CHD
|
A:HEC909
|
3.6
|
29.4
|
1.0
|
ND1
|
A:HIS282
|
4.1
|
40.5
|
1.0
|
ND1
|
A:HIS248
|
4.1
|
22.3
|
1.0
|
C2A
|
A:HEC909
|
4.2
|
26.2
|
1.0
|
CG
|
A:HIS282
|
4.2
|
30.6
|
1.0
|
C3A
|
A:HEC909
|
4.2
|
16.9
|
1.0
|
C3D
|
A:HEC909
|
4.2
|
29.3
|
1.0
|
CG
|
A:HIS248
|
4.2
|
16.7
|
1.0
|
HHA
|
A:HEC909
|
4.2
|
36.8
|
1.0
|
C2B
|
A:HEC909
|
4.3
|
26.5
|
1.0
|
C2D
|
A:HEC909
|
4.3
|
29.9
|
1.0
|
C3B
|
A:HEC909
|
4.3
|
29.6
|
1.0
|
HHB
|
A:HEC909
|
4.4
|
42.6
|
1.0
|
C2C
|
A:HEC909
|
4.4
|
24.0
|
1.0
|
C3C
|
A:HEC909
|
4.4
|
26.2
|
1.0
|
HHC
|
A:HEC909
|
4.5
|
34.8
|
1.0
|
HB2
|
A:CYS281
|
4.5
|
39.1
|
1.0
|
HHD
|
A:HEC909
|
4.5
|
35.9
|
1.0
|
HG3
|
A:PRO250
|
4.7
|
21.7
|
1.0
|
HD11
|
A:LEU331
|
4.7
|
28.1
|
1.0
|
HD12
|
A:LEU331
|
4.8
|
28.1
|
1.0
|
HB3
|
A:CYS281
|
4.8
|
39.1
|
1.0
|
HD1
|
A:HIS282
|
4.8
|
49.1
|
1.0
|
HD1
|
A:HIS248
|
4.9
|
27.3
|
1.0
|
HD2
|
A:PRO250
|
4.9
|
34.9
|
1.0
|
|
Iron binding site 10 out
of 20 in 6r2q
Go back to
Iron Binding Sites List in 6r2q
Iron binding site 10 out
of 20 in the Structure of the Mtr Complex
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 Mtr Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe910
b:17.2
occ:1.00
|
FE
|
A:HEC910
|
0.0
|
17.2
|
1.0
|
NB
|
A:HEC910
|
1.9
|
28.1
|
1.0
|
NA
|
A:HEC910
|
2.0
|
25.9
|
1.0
|
NE2
|
A:HIS287
|
2.1
|
17.1
|
1.0
|
NE2
|
A:HIS317
|
2.1
|
15.9
|
1.0
|
NC
|
A:HEC910
|
2.1
|
22.6
|
1.0
|
ND
|
A:HEC910
|
2.1
|
23.1
|
1.0
|
C1B
|
A:HEC910
|
2.9
|
28.5
|
1.0
|
C4B
|
A:HEC910
|
3.0
|
32.1
|
1.0
|
CE1
|
A:HIS317
|
3.0
|
28.3
|
1.0
|
C4A
|
A:HEC910
|
3.0
|
27.7
|
1.0
|
C1A
|
A:HEC910
|
3.0
|
31.0
|
1.0
|
CE1
|
A:HIS287
|
3.0
|
24.2
|
1.0
|
C1C
|
A:HEC910
|
3.0
|
29.7
|
1.0
|
C4D
|
A:HEC910
|
3.0
|
28.3
|
1.0
|
CD2
|
A:HIS287
|
3.1
|
30.4
|
1.0
|
CD2
|
A:HIS317
|
3.1
|
27.2
|
1.0
|
HE1
|
A:HIS317
|
3.1
|
34.6
|
1.0
|
HE1
|
A:HIS287
|
3.2
|
29.6
|
1.0
|
C4C
|
A:HEC910
|
3.2
|
27.9
|
1.0
|
C1D
|
A:HEC910
|
3.2
|
28.2
|
1.0
|
HD2
|
A:HIS287
|
3.3
|
37.0
|
1.0
|
CHB
|
A:HEC910
|
3.3
|
30.9
|
1.0
|
HD2
|
A:HIS317
|
3.3
|
33.2
|
1.0
|
CHC
|
A:HEC910
|
3.4
|
25.5
|
1.0
|
CHA
|
A:HEC910
|
3.4
|
30.9
|
1.0
|
CHD
|
A:HEC910
|
3.6
|
30.5
|
1.0
|
ND1
|
A:HIS317
|
4.1
|
30.9
|
1.0
|
C2B
|
A:HEC910
|
4.1
|
27.0
|
1.0
|
ND1
|
A:HIS287
|
4.1
|
29.1
|
1.0
|
C3B
|
A:HEC910
|
4.2
|
31.9
|
1.0
|
CG
|
A:HIS317
|
4.2
|
19.3
|
1.0
|
CG
|
A:HIS287
|
4.2
|
26.4
|
1.0
|
C3A
|
A:HEC910
|
4.2
|
20.1
|
1.0
|
C2A
|
A:HEC910
|
4.2
|
21.9
|
1.0
|
HHB
|
A:HEC910
|
4.3
|
37.6
|
1.0
|
C2C
|
A:HEC910
|
4.3
|
24.1
|
1.0
|
C3D
|
A:HEC910
|
4.3
|
24.5
|
1.0
|
HHC
|
A:HEC910
|
4.3
|
31.2
|
1.0
|
HHA
|
A:HEC910
|
4.3
|
37.7
|
1.0
|
C3C
|
A:HEC910
|
4.4
|
24.0
|
1.0
|
C2D
|
A:HEC910
|
4.4
|
23.2
|
1.0
|
HB2
|
A:CYS316
|
4.4
|
33.9
|
1.0
|
HHD
|
A:HEC910
|
4.6
|
37.2
|
1.0
|
HD1
|
A:HIS317
|
4.8
|
37.7
|
1.0
|
HB1
|
C:ALA305
|
4.8
|
28.6
|
1.0
|
HD1
|
A:HIS287
|
4.9
|
35.5
|
1.0
|
|
Reference:
M.J.Edwards,
G.F.White,
J.N.Butt,
D.J.Richardson,
T.A.Clarke.
The Crystal Structure of A Biological Insulated Transmembrane Molecular Wire. Cell 2020.
ISSN: ISSN 1097-4172
PubMed: 32289252
DOI: 10.1016/J.CELL.2020.03.032
Page generated: Wed Aug 7 08:39:56 2024
|