Iron in PDB 9cuf: Room Temperature Ssx Structure of Ccnir
Enzymatic activity of Room Temperature Ssx Structure of Ccnir
All present enzymatic activity of Room Temperature Ssx Structure of Ccnir:
1.7.2.2;
Protein crystallography data
The structure of Room Temperature Ssx Structure of Ccnir, PDB code: 9cuf
was solved by
T.N.Malla,
M.Schmidt,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
59.49 /
3.30
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.84,
95.47,
228.2,
90,
90,
90
|
|
R / Rfree (%)
|
21.2 /
29.8
|
Other elements in 9cuf:
The structure of Room Temperature Ssx Structure of Ccnir also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Room Temperature Ssx Structure of Ccnir
(pdb code 9cuf). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the
Room Temperature Ssx Structure of Ccnir, PDB code: 9cuf:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 10 in 9cuf
Go back to
Iron Binding Sites List in 9cuf
Iron binding site 1 out
of 10 in the Room Temperature Ssx Structure of Ccnir
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Room Temperature Ssx Structure of Ccnir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:97.7
occ:1.00
|
FE
|
A:HEC501
|
0.0
|
97.7
|
1.0
|
|
NB
|
A:HEC501
|
2.0
|
98.6
|
1.0
|
|
NC
|
A:HEC501
|
2.1
|
97.5
|
1.0
|
|
ND
|
A:HEC501
|
2.1
|
97.3
|
1.0
|
|
NA
|
A:HEC501
|
2.1
|
97.9
|
1.0
|
|
CE
|
A:LYS123
|
2.1
|
99.2
|
1.0
|
|
NZ
|
A:LYS123
|
2.9
|
99.1
|
1.0
|
|
C1B
|
A:HEC501
|
3.0
|
98.9
|
1.0
|
|
C4A
|
A:HEC501
|
3.0
|
98.3
|
1.0
|
|
C4C
|
A:HEC501
|
3.0
|
97.4
|
1.0
|
|
C1D
|
A:HEC501
|
3.0
|
97.0
|
1.0
|
|
C4B
|
A:HEC501
|
3.1
|
98.7
|
1.0
|
|
C1C
|
A:HEC501
|
3.1
|
97.9
|
1.0
|
|
C1A
|
A:HEC501
|
3.2
|
97.5
|
1.0
|
|
CHB
|
A:HEC501
|
3.2
|
98.8
|
1.0
|
|
C4D
|
A:HEC501
|
3.2
|
96.8
|
1.0
|
|
CHD
|
A:HEC501
|
3.3
|
97.2
|
1.0
|
|
CHC
|
A:HEC501
|
3.5
|
98.3
|
1.0
|
|
CD
|
A:LYS123
|
3.6
|
100.3
|
1.0
|
|
CHA
|
A:HEC501
|
3.6
|
96.8
|
1.0
|
|
C3C
|
A:HEC501
|
4.2
|
97.6
|
1.0
|
|
CE1
|
A:HIS257
|
4.2
|
95.7
|
1.0
|
|
C2C
|
A:HEC501
|
4.2
|
97.8
|
1.0
|
|
C2B
|
A:HEC501
|
4.2
|
99.2
|
1.0
|
|
C3A
|
A:HEC501
|
4.2
|
98.4
|
1.0
|
|
C3B
|
A:HEC501
|
4.3
|
99.3
|
1.0
|
|
C2D
|
A:HEC501
|
4.3
|
96.7
|
1.0
|
|
C2A
|
A:HEC501
|
4.3
|
97.8
|
1.0
|
|
C3D
|
A:HEC501
|
4.4
|
96.6
|
1.0
|
|
CMD
|
A:HEC503
|
4.6
|
97.8
|
1.0
|
|
NE2
|
A:HIS257
|
4.6
|
95.7
|
1.0
|
|
CG
|
A:LYS123
|
4.7
|
101.3
|
1.0
|
|
Iron binding site 2 out
of 10 in 9cuf
Go back to
Iron Binding Sites List in 9cuf
Iron binding site 2 out
of 10 in the Room Temperature Ssx Structure of Ccnir
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Room Temperature Ssx Structure of Ccnir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:101.7
occ:1.00
|
FE
|
A:HEC502
|
0.0
|
101.7
|
1.0
|
|
NE2
|
A:HIS294
|
1.9
|
101.2
|
1.0
|
|
NB
|
A:HEC502
|
2.1
|
101.8
|
1.0
|
|
NA
|
A:HEC502
|
2.1
|
101.9
|
1.0
|
|
NC
|
A:HEC502
|
2.1
|
101.8
|
1.0
|
|
ND
|
A:HEC502
|
2.1
|
101.2
|
1.0
|
|
NE2
|
A:HIS161
|
2.3
|
101.9
|
1.0
|
|
CD2
|
A:HIS294
|
2.6
|
101.2
|
1.0
|
|
C4C
|
A:HEC502
|
3.0
|
101.4
|
1.0
|
|
C1C
|
A:HEC502
|
3.1
|
102.2
|
1.0
|
|
C1B
|
A:HEC502
|
3.1
|
102.1
|
1.0
|
|
C4A
|
A:HEC502
|
3.1
|
101.8
|
1.0
|
|
C1D
|
A:HEC502
|
3.1
|
100.9
|
1.0
|
|
C4B
|
A:HEC502
|
3.1
|
102.1
|
1.0
|
|
C1A
|
A:HEC502
|
3.1
|
101.8
|
1.0
|
|
CE1
|
A:HIS294
|
3.1
|
100.7
|
1.0
|
|
C4D
|
A:HEC502
|
3.2
|
101.1
|
1.0
|
|
CD2
|
A:HIS161
|
3.3
|
102.3
|
1.0
|
|
CE1
|
A:HIS161
|
3.3
|
102.1
|
1.0
|
|
CHD
|
A:HEC502
|
3.4
|
101.0
|
1.0
|
|
CHC
|
A:HEC502
|
3.4
|
102.4
|
1.0
|
|
CHB
|
A:HEC502
|
3.4
|
102.1
|
1.0
|
|
CHA
|
A:HEC502
|
3.5
|
101.4
|
1.0
|
|
CG
|
A:HIS294
|
3.8
|
100.8
|
1.0
|
|
ND1
|
A:HIS294
|
4.1
|
100.6
|
1.0
|
|
C3C
|
A:HEC502
|
4.2
|
101.5
|
1.0
|
|
C2C
|
A:HEC502
|
4.2
|
101.8
|
1.0
|
|
C3A
|
A:HEC502
|
4.3
|
101.8
|
1.0
|
|
C2B
|
A:HEC502
|
4.3
|
102.3
|
1.0
|
|
C3B
|
A:HEC502
|
4.3
|
102.3
|
1.0
|
|
C2A
|
A:HEC502
|
4.3
|
101.9
|
1.0
|
|
C2D
|
A:HEC502
|
4.3
|
100.5
|
1.0
|
|
C3D
|
A:HEC502
|
4.4
|
100.8
|
1.0
|
|
ND1
|
A:HIS161
|
4.4
|
102.4
|
1.0
|
|
CG
|
A:HIS161
|
4.4
|
102.6
|
1.0
|
|
CG
|
A:GLN49
|
4.9
|
101.7
|
1.0
|
|
Iron binding site 3 out
of 10 in 9cuf
Go back to
Iron Binding Sites List in 9cuf
Iron binding site 3 out
of 10 in the Room Temperature Ssx Structure of Ccnir
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Room Temperature Ssx Structure of Ccnir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe503
b:96.3
occ:1.00
|
FE
|
A:HEC503
|
0.0
|
96.3
|
1.0
|
|
NE2
|
A:HIS203
|
1.9
|
96.3
|
1.0
|
|
NC
|
A:HEC503
|
1.9
|
96.9
|
1.0
|
|
ND
|
A:HEC503
|
2.0
|
96.9
|
1.0
|
|
NA
|
A:HEC503
|
2.1
|
96.4
|
1.0
|
|
NB
|
A:HEC503
|
2.1
|
96.4
|
1.0
|
|
CE1
|
A:HIS203
|
2.6
|
96.0
|
1.0
|
|
NE2
|
A:HIS91
|
2.6
|
97.2
|
1.0
|
|
C4C
|
A:HEC503
|
2.9
|
97.2
|
1.0
|
|
C1C
|
A:HEC503
|
3.0
|
96.8
|
1.0
|
|
C1D
|
A:HEC503
|
3.0
|
97.1
|
1.0
|
|
CE1
|
A:HIS91
|
3.0
|
97.3
|
1.0
|
|
C4D
|
A:HEC503
|
3.1
|
96.9
|
1.0
|
|
CD2
|
A:HIS203
|
3.1
|
96.2
|
1.0
|
|
C1A
|
A:HEC503
|
3.1
|
96.4
|
1.0
|
|
C4B
|
A:HEC503
|
3.1
|
96.4
|
1.0
|
|
C4A
|
A:HEC503
|
3.2
|
96.0
|
1.0
|
|
C1B
|
A:HEC503
|
3.2
|
96.1
|
1.0
|
|
CHD
|
A:HEC503
|
3.3
|
97.2
|
1.0
|
|
CHC
|
A:HEC503
|
3.4
|
96.6
|
1.0
|
|
CHA
|
A:HEC503
|
3.4
|
97.0
|
1.0
|
|
CHB
|
A:HEC503
|
3.6
|
95.6
|
1.0
|
|
CD2
|
A:HIS91
|
3.6
|
98.2
|
1.0
|
|
ND1
|
A:HIS203
|
3.8
|
95.5
|
1.0
|
|
CG
|
A:HIS203
|
4.1
|
95.5
|
1.0
|
|
C3C
|
A:HEC503
|
4.1
|
97.5
|
1.0
|
|
C2C
|
A:HEC503
|
4.1
|
97.3
|
1.0
|
|
ND1
|
A:HIS91
|
4.2
|
98.0
|
1.0
|
|
C2D
|
A:HEC503
|
4.2
|
97.3
|
1.0
|
|
C3D
|
A:HEC503
|
4.3
|
97.1
|
1.0
|
|
C2A
|
A:HEC503
|
4.3
|
95.8
|
1.0
|
|
C3A
|
A:HEC503
|
4.4
|
95.5
|
1.0
|
|
C3B
|
A:HEC503
|
4.4
|
96.2
|
1.0
|
|
C2B
|
A:HEC503
|
4.4
|
95.9
|
1.0
|
|
CG
|
A:HIS91
|
4.5
|
98.7
|
1.0
|
|
Iron binding site 4 out
of 10 in 9cuf
Go back to
Iron Binding Sites List in 9cuf
Iron binding site 4 out
of 10 in the Room Temperature Ssx Structure of Ccnir
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Room Temperature Ssx Structure of Ccnir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe504
b:91.8
occ:1.00
|
FE
|
A:HEC504
|
0.0
|
91.8
|
1.0
|
|
NA
|
A:HEC504
|
1.9
|
92.4
|
1.0
|
|
NB
|
A:HEC504
|
2.0
|
92.5
|
1.0
|
|
ND
|
A:HEC504
|
2.1
|
92.2
|
1.0
|
|
NC
|
A:HEC504
|
2.2
|
92.3
|
1.0
|
|
NE2
|
A:HIS279
|
2.2
|
93.0
|
1.0
|
|
CE1
|
A:HIS279
|
2.4
|
93.0
|
1.0
|
|
NE2
|
A:HIS386
|
2.5
|
91.3
|
1.0
|
|
C1A
|
A:HEC504
|
2.8
|
92.4
|
1.0
|
|
C4D
|
A:HEC504
|
2.9
|
92.1
|
1.0
|
|
C4B
|
A:HEC504
|
3.0
|
92.5
|
1.0
|
|
C4A
|
A:HEC504
|
3.0
|
92.7
|
1.0
|
|
C1B
|
A:HEC504
|
3.1
|
92.8
|
1.0
|
|
C1C
|
A:HEC504
|
3.1
|
92.5
|
1.0
|
|
C1D
|
A:HEC504
|
3.2
|
92.2
|
1.0
|
|
CHA
|
A:HEC504
|
3.2
|
92.1
|
1.0
|
|
CE1
|
A:HIS386
|
3.2
|
91.2
|
1.0
|
|
C4C
|
A:HEC504
|
3.2
|
92.4
|
1.0
|
|
CHC
|
A:HEC504
|
3.4
|
92.5
|
1.0
|
|
CHB
|
A:HEC504
|
3.5
|
92.8
|
1.0
|
|
CD2
|
A:HIS279
|
3.5
|
93.3
|
1.0
|
|
CD2
|
A:HIS386
|
3.6
|
90.8
|
1.0
|
|
CHD
|
A:HEC504
|
3.6
|
92.2
|
1.0
|
|
ND1
|
A:HIS279
|
3.7
|
93.5
|
1.0
|
|
C2A
|
A:HEC504
|
4.1
|
92.7
|
1.0
|
|
C3A
|
A:HEC504
|
4.2
|
93.0
|
1.0
|
|
C3D
|
A:HEC504
|
4.2
|
91.7
|
1.0
|
|
C3B
|
A:HEC504
|
4.2
|
92.8
|
1.0
|
|
C2B
|
A:HEC504
|
4.3
|
93.1
|
1.0
|
|
CG
|
A:HIS279
|
4.3
|
93.7
|
1.0
|
|
C2D
|
A:HEC504
|
4.3
|
91.8
|
1.0
|
|
ND1
|
A:HIS386
|
4.4
|
90.4
|
1.0
|
|
C2C
|
A:HEC504
|
4.4
|
92.4
|
1.0
|
|
C3C
|
A:HEC504
|
4.5
|
92.4
|
1.0
|
|
CG
|
A:HIS386
|
4.6
|
90.2
|
1.0
|
|
O
|
A:GLY382
|
4.9
|
89.8
|
1.0
|
|
Iron binding site 5 out
of 10 in 9cuf
Go back to
Iron Binding Sites List in 9cuf
Iron binding site 5 out
of 10 in the Room Temperature Ssx Structure of Ccnir
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Room Temperature Ssx Structure of Ccnir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe505
b:89.2
occ:1.00
|
FE
|
A:HEC505
|
0.0
|
89.2
|
1.0
|
|
NC
|
A:HEC505
|
2.0
|
90.7
|
1.0
|
|
NE2
|
A:HIS311
|
2.0
|
90.5
|
1.0
|
|
NB
|
A:HEC505
|
2.0
|
90.2
|
1.0
|
|
ND
|
A:HEC505
|
2.0
|
90.6
|
1.0
|
|
NA
|
A:HEC505
|
2.2
|
90.6
|
1.0
|
|
CD2
|
A:HIS311
|
2.6
|
91.0
|
1.0
|
|
NE2
|
A:HIS268
|
2.7
|
90.7
|
1.0
|
|
C4C
|
A:HEC505
|
2.9
|
90.7
|
1.0
|
|
C1D
|
A:HEC505
|
3.0
|
90.3
|
1.0
|
|
CD2
|
A:HIS268
|
3.0
|
90.8
|
1.0
|
|
C4B
|
A:HEC505
|
3.0
|
90.5
|
1.0
|
|
C1C
|
A:HEC505
|
3.0
|
90.7
|
1.0
|
|
C1B
|
A:HEC505
|
3.0
|
90.2
|
1.0
|
|
C4D
|
A:HEC505
|
3.1
|
90.7
|
1.0
|
|
C4A
|
A:HEC505
|
3.1
|
90.4
|
1.0
|
|
CE1
|
A:HIS311
|
3.2
|
91.2
|
1.0
|
|
C1A
|
A:HEC505
|
3.2
|
90.4
|
1.0
|
|
CHD
|
A:HEC505
|
3.3
|
90.5
|
1.0
|
|
CHC
|
A:HEC505
|
3.4
|
90.8
|
1.0
|
|
CHB
|
A:HEC505
|
3.4
|
90.3
|
1.0
|
|
CHA
|
A:HEC505
|
3.6
|
90.7
|
1.0
|
|
CG
|
A:HIS311
|
3.9
|
90.8
|
1.0
|
|
CE1
|
A:HIS268
|
3.9
|
90.6
|
1.0
|
|
ND1
|
A:HIS311
|
4.1
|
91.0
|
1.0
|
|
C3C
|
A:HEC505
|
4.2
|
90.9
|
1.0
|
|
C2C
|
A:HEC505
|
4.2
|
90.8
|
1.0
|
|
C2D
|
A:HEC505
|
4.2
|
90.8
|
1.0
|
|
C3B
|
A:HEC505
|
4.2
|
90.5
|
1.0
|
|
C2B
|
A:HEC505
|
4.2
|
90.2
|
1.0
|
|
C3D
|
A:HEC505
|
4.3
|
91.1
|
1.0
|
|
CG
|
A:HIS268
|
4.3
|
90.8
|
1.0
|
|
C3A
|
A:HEC505
|
4.4
|
90.0
|
1.0
|
|
C2A
|
A:HEC505
|
4.4
|
90.2
|
1.0
|
|
ND1
|
A:HIS268
|
4.7
|
90.7
|
1.0
|
|
CBC
|
A:HEC504
|
4.9
|
91.4
|
1.0
|
|
Iron binding site 6 out
of 10 in 9cuf
Go back to
Iron Binding Sites List in 9cuf
Iron binding site 6 out
of 10 in the Room Temperature Ssx Structure of Ccnir
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Room Temperature Ssx Structure of Ccnir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe501
b:101.9
occ:1.00
|
FE
|
B:HEC501
|
0.0
|
101.9
|
1.0
|
|
NA
|
B:HEC501
|
2.0
|
102.7
|
1.0
|
|
ND
|
B:HEC501
|
2.0
|
102.0
|
1.0
|
|
NB
|
B:HEC501
|
2.1
|
103.5
|
1.0
|
|
NC
|
B:HEC501
|
2.1
|
102.4
|
1.0
|
|
NZ
|
B:LYS123
|
2.8
|
104.7
|
1.0
|
|
C4D
|
B:HEC501
|
2.9
|
102.0
|
1.0
|
|
C1A
|
B:HEC501
|
3.0
|
102.7
|
1.0
|
|
C1D
|
B:HEC501
|
3.0
|
102.0
|
1.0
|
|
C4A
|
B:HEC501
|
3.0
|
103.1
|
1.0
|
|
CE
|
B:LYS123
|
3.1
|
105.4
|
1.0
|
|
C4C
|
B:HEC501
|
3.1
|
102.5
|
1.0
|
|
C1B
|
B:HEC501
|
3.1
|
103.8
|
1.0
|
|
C4B
|
B:HEC501
|
3.2
|
103.5
|
1.0
|
|
C1C
|
B:HEC501
|
3.2
|
102.6
|
1.0
|
|
CHA
|
B:HEC501
|
3.3
|
102.6
|
1.0
|
|
CHD
|
B:HEC501
|
3.4
|
102.3
|
1.0
|
|
CHB
|
B:HEC501
|
3.5
|
103.8
|
1.0
|
|
CHC
|
B:HEC501
|
3.6
|
103.1
|
1.0
|
|
NE2
|
B:HIS257
|
3.6
|
100.2
|
1.0
|
|
C3D
|
B:HEC501
|
4.2
|
101.6
|
1.0
|
|
C2D
|
B:HEC501
|
4.2
|
101.5
|
1.0
|
|
C2A
|
B:HEC501
|
4.2
|
102.8
|
1.0
|
|
C3A
|
B:HEC501
|
4.2
|
103.1
|
1.0
|
|
CE1
|
B:HIS257
|
4.3
|
100.7
|
1.0
|
|
C2B
|
B:HEC501
|
4.4
|
104.0
|
1.0
|
|
C3B
|
B:HEC501
|
4.4
|
103.8
|
1.0
|
|
C3C
|
B:HEC501
|
4.4
|
102.1
|
1.0
|
|
C2C
|
B:HEC501
|
4.4
|
102.2
|
1.0
|
|
CMD
|
B:HEC503
|
4.5
|
104.0
|
1.0
|
|
CD
|
B:LYS123
|
4.6
|
107.5
|
1.0
|
|
CD2
|
B:HIS257
|
4.6
|
99.2
|
1.0
|
|
Iron binding site 7 out
of 10 in 9cuf
Go back to
Iron Binding Sites List in 9cuf
Iron binding site 7 out
of 10 in the Room Temperature Ssx Structure of Ccnir
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Room Temperature Ssx Structure of Ccnir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe502
b:111.9
occ:1.00
|
FE
|
B:HEC502
|
0.0
|
111.9
|
1.0
|
|
NB
|
B:HEC502
|
1.9
|
112.9
|
1.0
|
|
NA
|
B:HEC502
|
2.0
|
113.3
|
1.0
|
|
NC
|
B:HEC502
|
2.1
|
112.5
|
1.0
|
|
ND
|
B:HEC502
|
2.1
|
112.6
|
1.0
|
|
NE2
|
B:HIS294
|
2.4
|
112.8
|
1.0
|
|
NE2
|
B:HIS161
|
2.6
|
112.6
|
1.0
|
|
C1B
|
B:HEC502
|
2.9
|
113.5
|
1.0
|
|
CD2
|
B:HIS161
|
2.9
|
112.5
|
1.0
|
|
C4A
|
B:HEC502
|
2.9
|
113.8
|
1.0
|
|
C4B
|
B:HEC502
|
3.0
|
113.0
|
1.0
|
|
C1D
|
B:HEC502
|
3.0
|
112.2
|
1.0
|
|
C1A
|
B:HEC502
|
3.0
|
113.5
|
1.0
|
|
C4C
|
B:HEC502
|
3.1
|
112.0
|
1.0
|
|
C1C
|
B:HEC502
|
3.1
|
112.6
|
1.0
|
|
C4D
|
B:HEC502
|
3.1
|
112.8
|
1.0
|
|
CE1
|
B:HIS294
|
3.2
|
112.4
|
1.0
|
|
CD2
|
B:HIS294
|
3.2
|
113.0
|
1.0
|
|
CHB
|
B:HEC502
|
3.2
|
114.0
|
1.0
|
|
CHC
|
B:HEC502
|
3.4
|
113.0
|
1.0
|
|
CHD
|
B:HEC502
|
3.4
|
111.8
|
1.0
|
|
CHA
|
B:HEC502
|
3.4
|
113.0
|
1.0
|
|
CE1
|
B:HIS161
|
3.8
|
113.0
|
1.0
|
|
C3A
|
B:HEC502
|
4.1
|
113.7
|
1.0
|
|
C2B
|
B:HEC502
|
4.1
|
113.7
|
1.0
|
|
CG
|
B:HIS161
|
4.2
|
112.6
|
1.0
|
|
C3B
|
B:HEC502
|
4.2
|
113.3
|
1.0
|
|
C2A
|
B:HEC502
|
4.2
|
113.6
|
1.0
|
|
ND1
|
B:HIS294
|
4.2
|
112.3
|
1.0
|
|
CG
|
B:HIS294
|
4.2
|
112.6
|
1.0
|
|
C2D
|
B:HEC502
|
4.3
|
112.2
|
1.0
|
|
C2C
|
B:HEC502
|
4.3
|
111.9
|
1.0
|
|
C3C
|
B:HEC502
|
4.3
|
111.6
|
1.0
|
|
C3D
|
B:HEC502
|
4.3
|
112.6
|
1.0
|
|
ND1
|
B:HIS161
|
4.6
|
112.8
|
1.0
|
|
Iron binding site 8 out
of 10 in 9cuf
Go back to
Iron Binding Sites List in 9cuf
Iron binding site 8 out
of 10 in the Room Temperature Ssx Structure of Ccnir
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Room Temperature Ssx Structure of Ccnir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe503
b:102.6
occ:1.00
|
FE
|
B:HEC503
|
0.0
|
102.6
|
1.0
|
|
NC
|
B:HEC503
|
2.0
|
103.5
|
1.0
|
|
ND
|
B:HEC503
|
2.0
|
103.7
|
1.0
|
|
NE2
|
B:HIS203
|
2.1
|
102.0
|
1.0
|
|
NB
|
B:HEC503
|
2.1
|
103.0
|
1.0
|
|
NA
|
B:HEC503
|
2.1
|
103.1
|
1.0
|
|
NE2
|
B:HIS91
|
2.5
|
104.2
|
1.0
|
|
CD2
|
B:HIS203
|
2.7
|
101.5
|
1.0
|
|
C4C
|
B:HEC503
|
2.9
|
103.8
|
1.0
|
|
C1D
|
B:HEC503
|
3.0
|
103.7
|
1.0
|
|
CE1
|
B:HIS91
|
3.0
|
104.5
|
1.0
|
|
C1C
|
B:HEC503
|
3.1
|
103.5
|
1.0
|
|
C4D
|
B:HEC503
|
3.1
|
103.7
|
1.0
|
|
C1B
|
B:HEC503
|
3.1
|
102.8
|
1.0
|
|
C4A
|
B:HEC503
|
3.1
|
102.7
|
1.0
|
|
C1A
|
B:HEC503
|
3.1
|
103.4
|
1.0
|
|
C4B
|
B:HEC503
|
3.2
|
102.7
|
1.0
|
|
CHD
|
B:HEC503
|
3.3
|
103.8
|
1.0
|
|
CE1
|
B:HIS203
|
3.3
|
101.2
|
1.0
|
|
CHA
|
B:HEC503
|
3.5
|
103.9
|
1.0
|
|
CHB
|
B:HEC503
|
3.5
|
102.5
|
1.0
|
|
CHC
|
B:HEC503
|
3.5
|
102.9
|
1.0
|
|
CD2
|
B:HIS91
|
3.7
|
105.2
|
1.0
|
|
CG
|
B:HIS203
|
4.0
|
100.3
|
1.0
|
|
C3C
|
B:HEC503
|
4.2
|
103.9
|
1.0
|
|
C2D
|
B:HEC503
|
4.2
|
103.4
|
1.0
|
|
ND1
|
B:HIS203
|
4.2
|
100.1
|
1.0
|
|
C2C
|
B:HEC503
|
4.2
|
104.0
|
1.0
|
|
ND1
|
B:HIS91
|
4.3
|
106.1
|
1.0
|
|
C3D
|
B:HEC503
|
4.3
|
103.5
|
1.0
|
|
C2B
|
B:HEC503
|
4.4
|
102.4
|
1.0
|
|
C3A
|
B:HEC503
|
4.4
|
102.9
|
1.0
|
|
C3B
|
B:HEC503
|
4.4
|
102.6
|
1.0
|
|
C2A
|
B:HEC503
|
4.4
|
103.3
|
1.0
|
|
CG
|
B:HIS91
|
4.6
|
106.7
|
1.0
|
|
CMD
|
B:HEC501
|
5.0
|
101.1
|
1.0
|
|
Iron binding site 9 out
of 10 in 9cuf
Go back to
Iron Binding Sites List in 9cuf
Iron binding site 9 out
of 10 in the Room Temperature Ssx Structure of Ccnir
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Room Temperature Ssx Structure of Ccnir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe504
b:98.2
occ:1.00
|
FE
|
B:HEC504
|
0.0
|
98.2
|
1.0
|
|
NA
|
B:HEC504
|
2.0
|
98.8
|
1.0
|
|
NE2
|
B:HIS386
|
2.0
|
97.8
|
1.0
|
|
ND
|
B:HEC504
|
2.1
|
98.6
|
1.0
|
|
NB
|
B:HEC504
|
2.1
|
98.9
|
1.0
|
|
NC
|
B:HEC504
|
2.1
|
98.8
|
1.0
|
|
CE1
|
B:HIS386
|
2.2
|
97.6
|
1.0
|
|
NE2
|
B:HIS279
|
2.6
|
99.7
|
1.0
|
|
C1A
|
B:HEC504
|
3.0
|
98.6
|
1.0
|
|
CD2
|
B:HIS279
|
3.0
|
100.0
|
1.0
|
|
C4C
|
B:HEC504
|
3.0
|
98.7
|
1.0
|
|
C4A
|
B:HEC504
|
3.0
|
99.2
|
1.0
|
|
C1D
|
B:HEC504
|
3.0
|
98.7
|
1.0
|
|
C4D
|
B:HEC504
|
3.1
|
98.7
|
1.0
|
|
C1B
|
B:HEC504
|
3.1
|
99.4
|
1.0
|
|
C1C
|
B:HEC504
|
3.1
|
98.5
|
1.0
|
|
C4B
|
B:HEC504
|
3.1
|
98.9
|
1.0
|
|
CD2
|
B:HIS386
|
3.3
|
97.0
|
1.0
|
|
CHA
|
B:HEC504
|
3.3
|
98.4
|
1.0
|
|
CHD
|
B:HEC504
|
3.3
|
98.8
|
1.0
|
|
CHB
|
B:HEC504
|
3.4
|
99.6
|
1.0
|
|
ND1
|
B:HIS386
|
3.5
|
96.5
|
1.0
|
|
CHC
|
B:HEC504
|
3.5
|
98.7
|
1.0
|
|
CE1
|
B:HIS279
|
3.7
|
100.4
|
1.0
|
|
CG
|
B:HIS386
|
4.0
|
96.0
|
1.0
|
|
CG
|
B:HIS279
|
4.2
|
101.0
|
1.0
|
|
C3C
|
B:HEC504
|
4.2
|
98.2
|
1.0
|
|
C2A
|
B:HEC504
|
4.2
|
98.8
|
1.0
|
|
C2C
|
B:HEC504
|
4.2
|
98.0
|
1.0
|
|
C3A
|
B:HEC504
|
4.2
|
99.2
|
1.0
|
|
C2D
|
B:HEC504
|
4.3
|
98.6
|
1.0
|
|
C2B
|
B:HEC504
|
4.3
|
99.3
|
1.0
|
|
C3D
|
B:HEC504
|
4.3
|
98.6
|
1.0
|
|
C3B
|
B:HEC504
|
4.3
|
99.0
|
1.0
|
|
ND1
|
B:HIS279
|
4.5
|
101.3
|
1.0
|
|
Iron binding site 10 out
of 10 in 9cuf
Go back to
Iron Binding Sites List in 9cuf
Iron binding site 10 out
of 10 in the Room Temperature Ssx Structure of Ccnir
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Room Temperature Ssx Structure of Ccnir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe505
b:92.6
occ:1.00
|
FE
|
B:HEC505
|
0.0
|
92.6
|
1.0
|
|
NA
|
B:HEC505
|
1.9
|
93.4
|
1.0
|
|
ND
|
B:HEC505
|
2.0
|
93.4
|
1.0
|
|
NC
|
B:HEC505
|
2.0
|
94.8
|
1.0
|
|
NB
|
B:HEC505
|
2.1
|
94.5
|
1.0
|
|
NE2
|
B:HIS311
|
2.5
|
94.9
|
1.0
|
|
CE1
|
B:HIS268
|
2.8
|
94.7
|
1.0
|
|
CE1
|
B:HIS311
|
2.8
|
94.6
|
1.0
|
|
C4A
|
B:HEC505
|
2.9
|
93.6
|
1.0
|
|
C1A
|
B:HEC505
|
3.0
|
93.0
|
1.0
|
|
C4D
|
B:HEC505
|
3.0
|
93.0
|
1.0
|
|
C1D
|
B:HEC505
|
3.0
|
93.6
|
1.0
|
|
C4C
|
B:HEC505
|
3.0
|
94.7
|
1.0
|
|
C1B
|
B:HEC505
|
3.0
|
94.5
|
1.0
|
|
C1C
|
B:HEC505
|
3.1
|
95.4
|
1.0
|
|
C4B
|
B:HEC505
|
3.1
|
95.2
|
1.0
|
|
NE2
|
B:HIS268
|
3.2
|
95.3
|
1.0
|
|
CHB
|
B:HEC505
|
3.3
|
94.0
|
1.0
|
|
CHA
|
B:HEC505
|
3.4
|
92.8
|
1.0
|
|
CHD
|
B:HEC505
|
3.4
|
94.1
|
1.0
|
|
CHC
|
B:HEC505
|
3.5
|
95.5
|
1.0
|
|
ND1
|
B:HIS268
|
3.7
|
94.4
|
1.0
|
|
CD2
|
B:HIS311
|
3.8
|
95.5
|
1.0
|
|
C3A
|
B:HEC505
|
4.1
|
93.1
|
1.0
|
|
C2A
|
B:HEC505
|
4.1
|
93.0
|
1.0
|
|
ND1
|
B:HIS311
|
4.1
|
94.8
|
1.0
|
|
C3D
|
B:HEC505
|
4.2
|
92.7
|
1.0
|
|
CD2
|
B:HIS268
|
4.3
|
95.3
|
1.0
|
|
C3C
|
B:HEC505
|
4.3
|
95.4
|
1.0
|
|
C2D
|
B:HEC505
|
4.3
|
93.0
|
1.0
|
|
C2C
|
B:HEC505
|
4.3
|
95.7
|
1.0
|
|
C2B
|
B:HEC505
|
4.3
|
95.0
|
1.0
|
|
C3B
|
B:HEC505
|
4.3
|
95.5
|
1.0
|
|
CG
|
B:HIS268
|
4.5
|
94.6
|
1.0
|
|
CG
|
B:HIS311
|
4.6
|
95.5
|
1.0
|
|
Reference:
T.N.Malla,
S.Muniyappan,
D.Menendez,
F.Ogukwe,
A.N.Dale,
J.D.Clayton,
D.D.Weatherall,
P.Karki,
S.Dangi,
V.Mandella,
A.A.Pacheco,
E.A.Stojkovic,
S.L.Rose,
J.Orlans,
S.Basu,
D.De Sanctis,
M.Schmidt.
Exploiting Fourth-Generation Synchrotron Radiation For Enzyme and Photoreceptor Characterization. Iucrj 2025.
ISSN: ESSN 2052-2525
PubMed: 39575537
DOI: 10.1107/S2052252524010868
Page generated: Sat Feb 8 18:53:35 2025
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