Iron in PDB 3ufk: Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
Protein crystallography data
The structure of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate, PDB code: 3ufk
was solved by
M.J.Edwards,
T.A.Clarke,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
61.61 /
2.10
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
69.500,
105.870,
151.520,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.5 /
20.5
|
Other elements in 3ufk:
The structure of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
15;
Binding sites:
The binding sites of Iron atom in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
(pdb code 3ufk). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 15 binding sites of Iron where determined in the
Crystal Structure of Unda Complexed with Iron Nitrilotriacetate, PDB code: 3ufk:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 15 in 3ufk
Go back to
Iron Binding Sites List in 3ufk
Iron binding site 1 out
of 15 in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe901
b:15.1
occ:1.00
|
FE
|
A:HEC901
|
0.0
|
15.1
|
1.0
|
|
NE2
|
A:HIS310
|
1.9
|
16.0
|
1.0
|
|
NE2
|
A:HIS256
|
1.9
|
13.3
|
1.0
|
|
NB
|
A:HEC901
|
2.0
|
13.4
|
1.0
|
|
ND
|
A:HEC901
|
2.0
|
11.4
|
1.0
|
|
NA
|
A:HEC901
|
2.0
|
13.3
|
1.0
|
|
NC
|
A:HEC901
|
2.1
|
12.7
|
1.0
|
|
CE1
|
A:HIS256
|
2.8
|
13.0
|
1.0
|
|
CE1
|
A:HIS310
|
2.8
|
18.3
|
1.0
|
|
CD2
|
A:HIS310
|
3.0
|
14.9
|
1.0
|
|
C1B
|
A:HEC901
|
3.0
|
15.8
|
1.0
|
|
CD2
|
A:HIS256
|
3.0
|
11.2
|
1.0
|
|
C4A
|
A:HEC901
|
3.0
|
10.1
|
1.0
|
|
C1D
|
A:HEC901
|
3.0
|
12.9
|
1.0
|
|
C4C
|
A:HEC901
|
3.0
|
10.0
|
1.0
|
|
C4B
|
A:HEC901
|
3.1
|
13.5
|
1.0
|
|
C1A
|
A:HEC901
|
3.1
|
10.2
|
1.0
|
|
C4D
|
A:HEC901
|
3.1
|
19.0
|
1.0
|
|
C1C
|
A:HEC901
|
3.1
|
13.7
|
1.0
|
|
CHB
|
A:HEC901
|
3.4
|
11.2
|
1.0
|
|
CHD
|
A:HEC901
|
3.4
|
9.4
|
1.0
|
|
CHA
|
A:HEC901
|
3.5
|
17.5
|
1.0
|
|
CHC
|
A:HEC901
|
3.5
|
10.8
|
1.0
|
|
ND1
|
A:HIS256
|
4.0
|
14.6
|
1.0
|
|
ND1
|
A:HIS310
|
4.0
|
18.6
|
1.0
|
|
CG
|
A:HIS310
|
4.1
|
16.7
|
1.0
|
|
CG
|
A:HIS256
|
4.1
|
15.9
|
1.0
|
|
C2B
|
A:HEC901
|
4.2
|
14.6
|
1.0
|
|
C3B
|
A:HEC901
|
4.3
|
7.3
|
1.0
|
|
C3A
|
A:HEC901
|
4.3
|
13.6
|
1.0
|
|
C2A
|
A:HEC901
|
4.3
|
15.9
|
1.0
|
|
C3C
|
A:HEC901
|
4.3
|
13.5
|
1.0
|
|
C2D
|
A:HEC901
|
4.3
|
13.8
|
1.0
|
|
C3D
|
A:HEC901
|
4.3
|
15.6
|
1.0
|
|
C2C
|
A:HEC901
|
4.3
|
14.0
|
1.0
|
|
Iron binding site 2 out
of 15 in 3ufk
Go back to
Iron Binding Sites List in 3ufk
Iron binding site 2 out
of 15 in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe902
b:19.6
occ:1.00
|
FE
|
A:HEC902
|
0.0
|
19.6
|
1.0
|
|
NE2
|
A:HIS273
|
1.9
|
19.6
|
1.0
|
|
NE2
|
A:HIS287
|
1.9
|
16.6
|
1.0
|
|
NB
|
A:HEC902
|
2.0
|
20.2
|
1.0
|
|
NC
|
A:HEC902
|
2.0
|
21.0
|
1.0
|
|
NA
|
A:HEC902
|
2.0
|
18.3
|
1.0
|
|
ND
|
A:HEC902
|
2.1
|
17.5
|
1.0
|
|
CE1
|
A:HIS287
|
2.7
|
18.3
|
1.0
|
|
CE1
|
A:HIS273
|
2.8
|
24.6
|
1.0
|
|
C1B
|
A:HEC902
|
2.9
|
20.2
|
1.0
|
|
C4C
|
A:HEC902
|
3.0
|
21.6
|
1.0
|
|
C4A
|
A:HEC902
|
3.0
|
18.2
|
1.0
|
|
CD2
|
A:HIS273
|
3.0
|
16.8
|
1.0
|
|
C1D
|
A:HEC902
|
3.0
|
20.6
|
1.0
|
|
C4B
|
A:HEC902
|
3.1
|
25.5
|
1.0
|
|
C1C
|
A:HEC902
|
3.1
|
26.0
|
1.0
|
|
CD2
|
A:HIS287
|
3.1
|
16.9
|
1.0
|
|
C1A
|
A:HEC902
|
3.1
|
20.3
|
1.0
|
|
C4D
|
A:HEC902
|
3.2
|
21.3
|
1.0
|
|
CHB
|
A:HEC902
|
3.3
|
18.3
|
1.0
|
|
CHD
|
A:HEC902
|
3.3
|
16.6
|
1.0
|
|
CHC
|
A:HEC902
|
3.5
|
26.7
|
1.0
|
|
CHA
|
A:HEC902
|
3.5
|
16.3
|
1.0
|
|
ND1
|
A:HIS287
|
3.9
|
17.5
|
1.0
|
|
ND1
|
A:HIS273
|
4.0
|
23.6
|
1.0
|
|
CG
|
A:HIS273
|
4.1
|
21.7
|
1.0
|
|
CG
|
A:HIS287
|
4.1
|
18.4
|
1.0
|
|
C2B
|
A:HEC902
|
4.2
|
20.1
|
1.0
|
|
C3B
|
A:HEC902
|
4.2
|
18.5
|
1.0
|
|
C3C
|
A:HEC902
|
4.2
|
19.2
|
1.0
|
|
C3A
|
A:HEC902
|
4.2
|
17.1
|
1.0
|
|
C2A
|
A:HEC902
|
4.3
|
15.3
|
1.0
|
|
C2C
|
A:HEC902
|
4.3
|
23.3
|
1.0
|
|
C2D
|
A:HEC902
|
4.3
|
22.2
|
1.0
|
|
C3D
|
A:HEC902
|
4.4
|
17.0
|
1.0
|
|
Iron binding site 3 out
of 15 in 3ufk
Go back to
Iron Binding Sites List in 3ufk
Iron binding site 3 out
of 15 in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe903
b:16.2
occ:1.00
|
FE
|
A:HEC903
|
0.0
|
16.2
|
1.0
|
|
NE2
|
A:HIS365
|
1.9
|
16.4
|
1.0
|
|
NE2
|
A:HIS307
|
1.9
|
14.3
|
1.0
|
|
NB
|
A:HEC903
|
2.0
|
15.0
|
1.0
|
|
ND
|
A:HEC903
|
2.0
|
18.9
|
1.0
|
|
NC
|
A:HEC903
|
2.1
|
15.6
|
1.0
|
|
NA
|
A:HEC903
|
2.1
|
12.8
|
1.0
|
|
CE1
|
A:HIS365
|
2.8
|
19.5
|
1.0
|
|
CE1
|
A:HIS307
|
2.8
|
12.6
|
1.0
|
|
CD2
|
A:HIS365
|
3.0
|
16.1
|
1.0
|
|
CD2
|
A:HIS307
|
3.0
|
14.2
|
1.0
|
|
C4D
|
A:HEC903
|
3.0
|
16.2
|
1.0
|
|
C4B
|
A:HEC903
|
3.0
|
16.5
|
1.0
|
|
C1C
|
A:HEC903
|
3.0
|
14.0
|
1.0
|
|
C1A
|
A:HEC903
|
3.0
|
13.8
|
1.0
|
|
C1B
|
A:HEC903
|
3.1
|
16.1
|
1.0
|
|
C1D
|
A:HEC903
|
3.1
|
21.6
|
1.0
|
|
C4C
|
A:HEC903
|
3.1
|
18.1
|
1.0
|
|
C4A
|
A:HEC903
|
3.1
|
18.1
|
1.0
|
|
CHA
|
A:HEC903
|
3.4
|
13.5
|
1.0
|
|
CHC
|
A:HEC903
|
3.4
|
13.1
|
1.0
|
|
CHD
|
A:HEC903
|
3.4
|
22.9
|
1.0
|
|
CHB
|
A:HEC903
|
3.5
|
14.9
|
1.0
|
|
ND1
|
A:HIS365
|
4.0
|
10.8
|
1.0
|
|
ND1
|
A:HIS307
|
4.0
|
12.7
|
1.0
|
|
CG
|
A:HIS365
|
4.1
|
15.6
|
1.0
|
|
CG
|
A:HIS307
|
4.1
|
11.0
|
1.0
|
|
C3B
|
A:HEC903
|
4.2
|
13.7
|
1.0
|
|
C2B
|
A:HEC903
|
4.3
|
15.3
|
1.0
|
|
C3D
|
A:HEC903
|
4.3
|
18.2
|
1.0
|
|
C2C
|
A:HEC903
|
4.3
|
15.7
|
1.0
|
|
C2D
|
A:HEC903
|
4.3
|
19.4
|
1.0
|
|
C2A
|
A:HEC903
|
4.3
|
19.1
|
1.0
|
|
C3C
|
A:HEC903
|
4.3
|
15.2
|
1.0
|
|
C3A
|
A:HEC903
|
4.3
|
15.5
|
1.0
|
|
Iron binding site 4 out
of 15 in 3ufk
Go back to
Iron Binding Sites List in 3ufk
Iron binding site 4 out
of 15 in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe904
b:13.3
occ:1.00
|
FE
|
A:HEC904
|
0.0
|
13.3
|
1.0
|
|
NE2
|
A:HIS460
|
1.9
|
16.6
|
1.0
|
|
NE2
|
A:HIS390
|
1.9
|
9.2
|
1.0
|
|
NB
|
A:HEC904
|
2.0
|
15.3
|
1.0
|
|
NC
|
A:HEC904
|
2.0
|
10.0
|
1.0
|
|
NA
|
A:HEC904
|
2.0
|
13.3
|
1.0
|
|
ND
|
A:HEC904
|
2.1
|
15.6
|
1.0
|
|
CE1
|
A:HIS390
|
2.8
|
16.4
|
1.0
|
|
CE1
|
A:HIS460
|
2.9
|
19.0
|
1.0
|
|
CD2
|
A:HIS460
|
3.0
|
14.5
|
1.0
|
|
CD2
|
A:HIS390
|
3.0
|
12.2
|
1.0
|
|
C1B
|
A:HEC904
|
3.0
|
16.5
|
1.0
|
|
C4B
|
A:HEC904
|
3.0
|
16.5
|
1.0
|
|
C4A
|
A:HEC904
|
3.0
|
15.9
|
1.0
|
|
C4C
|
A:HEC904
|
3.0
|
15.5
|
1.0
|
|
C1C
|
A:HEC904
|
3.1
|
16.4
|
1.0
|
|
C1A
|
A:HEC904
|
3.1
|
18.7
|
1.0
|
|
C1D
|
A:HEC904
|
3.1
|
14.6
|
1.0
|
|
C4D
|
A:HEC904
|
3.1
|
13.9
|
1.0
|
|
CHB
|
A:HEC904
|
3.4
|
17.4
|
1.0
|
|
CHD
|
A:HEC904
|
3.4
|
13.1
|
1.0
|
|
CHC
|
A:HEC904
|
3.4
|
12.5
|
1.0
|
|
CHA
|
A:HEC904
|
3.4
|
21.0
|
1.0
|
|
ND1
|
A:HIS390
|
4.0
|
9.2
|
1.0
|
|
ND1
|
A:HIS460
|
4.0
|
14.7
|
1.0
|
|
CG
|
A:HIS460
|
4.1
|
15.1
|
1.0
|
|
CG
|
A:HIS390
|
4.1
|
12.1
|
1.0
|
|
C3B
|
A:HEC904
|
4.2
|
15.3
|
1.0
|
|
C2B
|
A:HEC904
|
4.2
|
19.8
|
1.0
|
|
C2C
|
A:HEC904
|
4.3
|
15.4
|
1.0
|
|
C3A
|
A:HEC904
|
4.3
|
17.8
|
1.0
|
|
C3C
|
A:HEC904
|
4.3
|
9.0
|
1.0
|
|
C2A
|
A:HEC904
|
4.3
|
16.7
|
1.0
|
|
C3D
|
A:HEC904
|
4.3
|
12.2
|
1.0
|
|
C2D
|
A:HEC904
|
4.3
|
7.8
|
1.0
|
|
Iron binding site 5 out
of 15 in 3ufk
Go back to
Iron Binding Sites List in 3ufk
Iron binding site 5 out
of 15 in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe905
b:18.8
occ:1.00
|
FE
|
A:HEC905
|
0.0
|
18.8
|
1.0
|
|
NE2
|
A:HIS448
|
1.9
|
12.9
|
1.0
|
|
NE2
|
A:HIS420
|
1.9
|
11.9
|
1.0
|
|
NB
|
A:HEC905
|
2.0
|
22.0
|
1.0
|
|
NC
|
A:HEC905
|
2.0
|
21.9
|
1.0
|
|
NA
|
A:HEC905
|
2.1
|
23.2
|
1.0
|
|
ND
|
A:HEC905
|
2.1
|
21.8
|
1.0
|
|
CE1
|
A:HIS420
|
2.7
|
16.8
|
1.0
|
|
CE1
|
A:HIS448
|
2.8
|
19.2
|
1.0
|
|
CD2
|
A:HIS448
|
3.0
|
17.6
|
1.0
|
|
C1B
|
A:HEC905
|
3.0
|
27.2
|
1.0
|
|
C4C
|
A:HEC905
|
3.0
|
24.5
|
1.0
|
|
C4A
|
A:HEC905
|
3.0
|
29.4
|
1.0
|
|
C1D
|
A:HEC905
|
3.1
|
24.9
|
1.0
|
|
CD2
|
A:HIS420
|
3.1
|
15.8
|
1.0
|
|
C1C
|
A:HEC905
|
3.1
|
26.1
|
1.0
|
|
C4B
|
A:HEC905
|
3.1
|
29.4
|
1.0
|
|
C1A
|
A:HEC905
|
3.1
|
27.3
|
1.0
|
|
C4D
|
A:HEC905
|
3.2
|
24.5
|
1.0
|
|
CHB
|
A:HEC905
|
3.4
|
21.3
|
1.0
|
|
CHD
|
A:HEC905
|
3.4
|
24.1
|
1.0
|
|
CHC
|
A:HEC905
|
3.5
|
24.7
|
1.0
|
|
CHA
|
A:HEC905
|
3.5
|
21.6
|
1.0
|
|
ND1
|
A:HIS420
|
3.9
|
17.2
|
1.0
|
|
ND1
|
A:HIS448
|
3.9
|
14.7
|
1.0
|
|
CG
|
A:HIS448
|
4.1
|
16.2
|
1.0
|
|
CG
|
A:HIS420
|
4.1
|
11.8
|
1.0
|
|
C2B
|
A:HEC905
|
4.3
|
25.6
|
1.0
|
|
C2C
|
A:HEC905
|
4.3
|
24.2
|
1.0
|
|
C3C
|
A:HEC905
|
4.3
|
20.2
|
1.0
|
|
C3A
|
A:HEC905
|
4.3
|
33.2
|
1.0
|
|
C3B
|
A:HEC905
|
4.3
|
25.0
|
1.0
|
|
C2A
|
A:HEC905
|
4.3
|
30.5
|
1.0
|
|
C2D
|
A:HEC905
|
4.3
|
25.3
|
1.0
|
|
C3D
|
A:HEC905
|
4.4
|
25.4
|
1.0
|
|
Iron binding site 6 out
of 15 in 3ufk
Go back to
Iron Binding Sites List in 3ufk
Iron binding site 6 out
of 15 in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe906
b:10.9
occ:1.00
|
FE
|
A:HEC906
|
0.0
|
10.9
|
1.0
|
|
NE2
|
A:HIS728
|
1.9
|
8.2
|
1.0
|
|
NE2
|
A:HIS657
|
1.9
|
8.1
|
1.0
|
|
NA
|
A:HEC906
|
2.0
|
8.0
|
1.0
|
|
NB
|
A:HEC906
|
2.0
|
11.6
|
1.0
|
|
NC
|
A:HEC906
|
2.0
|
13.7
|
1.0
|
|
ND
|
A:HEC906
|
2.1
|
11.0
|
1.0
|
|
CE1
|
A:HIS657
|
2.8
|
10.4
|
1.0
|
|
CE1
|
A:HIS728
|
2.9
|
11.8
|
1.0
|
|
CD2
|
A:HIS728
|
2.9
|
6.6
|
1.0
|
|
CD2
|
A:HIS657
|
3.0
|
9.4
|
1.0
|
|
C1B
|
A:HEC906
|
3.0
|
12.8
|
1.0
|
|
C4A
|
A:HEC906
|
3.0
|
8.5
|
1.0
|
|
C1D
|
A:HEC906
|
3.1
|
11.3
|
1.0
|
|
C4C
|
A:HEC906
|
3.1
|
13.4
|
1.0
|
|
C4B
|
A:HEC906
|
3.1
|
12.2
|
1.0
|
|
C1A
|
A:HEC906
|
3.1
|
12.7
|
1.0
|
|
C1C
|
A:HEC906
|
3.1
|
14.3
|
1.0
|
|
C4D
|
A:HEC906
|
3.1
|
14.9
|
1.0
|
|
CHD
|
A:HEC906
|
3.4
|
11.1
|
1.0
|
|
CHB
|
A:HEC906
|
3.4
|
8.4
|
1.0
|
|
CHC
|
A:HEC906
|
3.5
|
9.0
|
1.0
|
|
CHA
|
A:HEC906
|
3.5
|
9.1
|
1.0
|
|
ND1
|
A:HIS657
|
4.0
|
8.4
|
1.0
|
|
ND1
|
A:HIS728
|
4.0
|
13.5
|
1.0
|
|
CG
|
A:HIS728
|
4.0
|
12.8
|
1.0
|
|
CG
|
A:HIS657
|
4.1
|
8.3
|
1.0
|
|
C2B
|
A:HEC906
|
4.2
|
14.4
|
1.0
|
|
C3A
|
A:HEC906
|
4.2
|
10.5
|
1.0
|
|
C2A
|
A:HEC906
|
4.3
|
6.9
|
1.0
|
|
C3B
|
A:HEC906
|
4.3
|
8.3
|
1.0
|
|
C2C
|
A:HEC906
|
4.3
|
11.0
|
1.0
|
|
C3C
|
A:HEC906
|
4.3
|
7.8
|
1.0
|
|
C2D
|
A:HEC906
|
4.3
|
10.6
|
1.0
|
|
C3D
|
A:HEC906
|
4.3
|
9.8
|
1.0
|
|
Iron binding site 7 out
of 15 in 3ufk
Go back to
Iron Binding Sites List in 3ufk
Iron binding site 7 out
of 15 in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe907
b:10.3
occ:1.00
|
FE
|
A:HEC907
|
0.0
|
10.3
|
1.0
|
|
NE2
|
A:HIS709
|
1.9
|
11.6
|
1.0
|
|
NE2
|
A:HIS684
|
1.9
|
8.4
|
1.0
|
|
NB
|
A:HEC907
|
2.0
|
12.0
|
1.0
|
|
ND
|
A:HEC907
|
2.0
|
6.3
|
1.0
|
|
NC
|
A:HEC907
|
2.1
|
10.2
|
1.0
|
|
NA
|
A:HEC907
|
2.1
|
9.8
|
1.0
|
|
CE1
|
A:HIS684
|
2.8
|
8.0
|
1.0
|
|
CE1
|
A:HIS709
|
2.9
|
15.8
|
1.0
|
|
CD2
|
A:HIS709
|
2.9
|
11.3
|
1.0
|
|
CD2
|
A:HIS684
|
3.0
|
7.7
|
1.0
|
|
C1B
|
A:HEC907
|
3.0
|
15.8
|
1.0
|
|
C4C
|
A:HEC907
|
3.0
|
12.1
|
1.0
|
|
C1D
|
A:HEC907
|
3.0
|
13.0
|
1.0
|
|
C4A
|
A:HEC907
|
3.1
|
10.7
|
1.0
|
|
C4B
|
A:HEC907
|
3.1
|
14.0
|
1.0
|
|
C4D
|
A:HEC907
|
3.1
|
12.8
|
1.0
|
|
C1A
|
A:HEC907
|
3.1
|
11.8
|
1.0
|
|
C1C
|
A:HEC907
|
3.1
|
9.8
|
1.0
|
|
CHB
|
A:HEC907
|
3.4
|
11.1
|
1.0
|
|
CHD
|
A:HEC907
|
3.4
|
7.2
|
1.0
|
|
CHA
|
A:HEC907
|
3.4
|
8.5
|
1.0
|
|
CHC
|
A:HEC907
|
3.5
|
8.0
|
1.0
|
|
ND1
|
A:HIS684
|
4.0
|
7.3
|
1.0
|
|
ND1
|
A:HIS709
|
4.0
|
9.7
|
1.0
|
|
CG
|
A:HIS709
|
4.1
|
16.0
|
1.0
|
|
CG
|
A:HIS684
|
4.1
|
8.1
|
1.0
|
|
C2B
|
A:HEC907
|
4.2
|
12.0
|
1.0
|
|
C3B
|
A:HEC907
|
4.3
|
10.1
|
1.0
|
|
C2D
|
A:HEC907
|
4.3
|
11.7
|
1.0
|
|
C3C
|
A:HEC907
|
4.3
|
11.4
|
1.0
|
|
C2C
|
A:HEC907
|
4.3
|
9.0
|
1.0
|
|
C3D
|
A:HEC907
|
4.3
|
8.8
|
1.0
|
|
C3A
|
A:HEC907
|
4.3
|
10.9
|
1.0
|
|
C2A
|
A:HEC907
|
4.3
|
13.1
|
1.0
|
|
NH1
|
A:ARG528
|
4.7
|
12.2
|
1.0
|
|
Iron binding site 8 out
of 15 in 3ufk
Go back to
Iron Binding Sites List in 3ufk
Iron binding site 8 out
of 15 in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe908
b:9.7
occ:1.00
|
FE
|
A:HEC908
|
0.0
|
9.7
|
1.0
|
|
NE2
|
A:HIS703
|
1.9
|
7.8
|
1.0
|
|
NE2
|
A:HIS667
|
1.9
|
11.3
|
1.0
|
|
NC
|
A:HEC908
|
2.0
|
8.6
|
1.0
|
|
NB
|
A:HEC908
|
2.0
|
5.7
|
1.0
|
|
NA
|
A:HEC908
|
2.0
|
7.2
|
1.0
|
|
ND
|
A:HEC908
|
2.1
|
7.6
|
1.0
|
|
CE1
|
A:HIS703
|
2.8
|
9.9
|
1.0
|
|
CD2
|
A:HIS667
|
2.9
|
8.5
|
1.0
|
|
CE1
|
A:HIS667
|
3.0
|
14.1
|
1.0
|
|
C1C
|
A:HEC908
|
3.0
|
10.9
|
1.0
|
|
CD2
|
A:HIS703
|
3.0
|
4.5
|
1.0
|
|
C1A
|
A:HEC908
|
3.0
|
9.6
|
1.0
|
|
C4B
|
A:HEC908
|
3.0
|
7.5
|
1.0
|
|
C4C
|
A:HEC908
|
3.0
|
10.0
|
1.0
|
|
C1B
|
A:HEC908
|
3.0
|
12.0
|
1.0
|
|
C4A
|
A:HEC908
|
3.1
|
6.3
|
1.0
|
|
C4D
|
A:HEC908
|
3.1
|
9.4
|
1.0
|
|
C1D
|
A:HEC908
|
3.1
|
8.8
|
1.0
|
|
CHC
|
A:HEC908
|
3.4
|
9.4
|
1.0
|
|
CHA
|
A:HEC908
|
3.4
|
4.2
|
1.0
|
|
CHD
|
A:HEC908
|
3.4
|
10.4
|
1.0
|
|
CHB
|
A:HEC908
|
3.5
|
10.4
|
1.0
|
|
ND1
|
A:HIS703
|
4.0
|
8.9
|
1.0
|
|
ND1
|
A:HIS667
|
4.0
|
9.5
|
1.0
|
|
CG
|
A:HIS667
|
4.1
|
10.3
|
1.0
|
|
CG
|
A:HIS703
|
4.1
|
12.9
|
1.0
|
|
C2C
|
A:HEC908
|
4.2
|
7.4
|
1.0
|
|
C3C
|
A:HEC908
|
4.2
|
3.6
|
1.0
|
|
C3B
|
A:HEC908
|
4.2
|
6.6
|
1.0
|
|
C2A
|
A:HEC908
|
4.3
|
5.2
|
1.0
|
|
C2B
|
A:HEC908
|
4.3
|
11.3
|
1.0
|
|
C3A
|
A:HEC908
|
4.3
|
6.4
|
1.0
|
|
C2D
|
A:HEC908
|
4.3
|
5.9
|
1.0
|
|
C3D
|
A:HEC908
|
4.3
|
4.8
|
1.0
|
|
ND2
|
A:ASN689
|
4.6
|
11.2
|
1.0
|
|
CZ
|
A:PHE718
|
5.0
|
10.0
|
1.0
|
|
Iron binding site 9 out
of 15 in 3ufk
Go back to
Iron Binding Sites List in 3ufk
Iron binding site 9 out
of 15 in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe909
b:14.3
occ:1.00
|
FE
|
A:HEC909
|
0.0
|
14.3
|
1.0
|
|
NE2
|
A:HIS755
|
1.9
|
16.1
|
1.0
|
|
NE2
|
A:HIS725
|
1.9
|
11.7
|
1.0
|
|
NC
|
A:HEC909
|
2.0
|
12.1
|
1.0
|
|
NA
|
A:HEC909
|
2.1
|
14.1
|
1.0
|
|
ND
|
A:HEC909
|
2.1
|
9.2
|
1.0
|
|
NB
|
A:HEC909
|
2.1
|
17.4
|
1.0
|
|
CE1
|
A:HIS755
|
2.7
|
18.5
|
1.0
|
|
CE1
|
A:HIS725
|
2.9
|
18.6
|
1.0
|
|
CD2
|
A:HIS725
|
3.0
|
11.1
|
1.0
|
|
CD2
|
A:HIS755
|
3.0
|
14.7
|
1.0
|
|
C4C
|
A:HEC909
|
3.0
|
10.2
|
1.0
|
|
C1C
|
A:HEC909
|
3.0
|
15.5
|
1.0
|
|
C1D
|
A:HEC909
|
3.1
|
13.9
|
1.0
|
|
C1A
|
A:HEC909
|
3.1
|
15.6
|
1.0
|
|
C4A
|
A:HEC909
|
3.1
|
18.5
|
1.0
|
|
C4B
|
A:HEC909
|
3.1
|
20.7
|
1.0
|
|
C4D
|
A:HEC909
|
3.1
|
16.8
|
1.0
|
|
C1B
|
A:HEC909
|
3.1
|
18.7
|
1.0
|
|
CHD
|
A:HEC909
|
3.4
|
10.1
|
1.0
|
|
CHC
|
A:HEC909
|
3.4
|
9.5
|
1.0
|
|
CHA
|
A:HEC909
|
3.4
|
7.9
|
1.0
|
|
CHB
|
A:HEC909
|
3.5
|
17.2
|
1.0
|
|
ND1
|
A:HIS755
|
3.9
|
13.7
|
1.0
|
|
ND1
|
A:HIS725
|
4.0
|
16.0
|
1.0
|
|
CG
|
A:HIS755
|
4.1
|
15.1
|
1.0
|
|
CG
|
A:HIS725
|
4.1
|
15.1
|
1.0
|
|
C3C
|
A:HEC909
|
4.2
|
12.4
|
1.0
|
|
C2C
|
A:HEC909
|
4.3
|
14.1
|
1.0
|
|
C3A
|
A:HEC909
|
4.3
|
18.0
|
1.0
|
|
C2A
|
A:HEC909
|
4.3
|
12.2
|
1.0
|
|
C2D
|
A:HEC909
|
4.3
|
10.4
|
1.0
|
|
C3B
|
A:HEC909
|
4.3
|
15.9
|
1.0
|
|
C2B
|
A:HEC909
|
4.3
|
19.6
|
1.0
|
|
C3D
|
A:HEC909
|
4.3
|
15.2
|
1.0
|
|
Iron binding site 10 out
of 15 in 3ufk
Go back to
Iron Binding Sites List in 3ufk
Iron binding site 10 out
of 15 in the Crystal Structure of Unda Complexed with Iron Nitrilotriacetate
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Crystal Structure of Unda Complexed with Iron Nitrilotriacetate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe910
b:19.7
occ:1.00
|
FE
|
A:HEC910
|
0.0
|
19.7
|
1.0
|
|
NE2
|
A:HIS789
|
1.8
|
14.2
|
1.0
|
|
NE2
|
A:HIS839
|
1.9
|
11.3
|
1.0
|
|
NB
|
A:HEC910
|
2.0
|
21.5
|
1.0
|
|
ND
|
A:HEC910
|
2.1
|
24.3
|
1.0
|
|
NA
|
A:HEC910
|
2.1
|
28.4
|
1.0
|
|
NC
|
A:HEC910
|
2.1
|
18.1
|
1.0
|
|
CE1
|
A:HIS839
|
2.7
|
17.7
|
1.0
|
|
CE1
|
A:HIS789
|
2.8
|
23.5
|
1.0
|
|
CD2
|
A:HIS789
|
2.9
|
16.0
|
1.0
|
|
CD2
|
A:HIS839
|
3.0
|
17.9
|
1.0
|
|
C1B
|
A:HEC910
|
3.0
|
26.4
|
1.0
|
|
C4B
|
A:HEC910
|
3.1
|
23.1
|
1.0
|
|
C4A
|
A:HEC910
|
3.1
|
23.5
|
1.0
|
|
C4D
|
A:HEC910
|
3.1
|
32.7
|
1.0
|
|
C1C
|
A:HEC910
|
3.1
|
18.4
|
1.0
|
|
C1A
|
A:HEC910
|
3.1
|
26.4
|
1.0
|
|
C1D
|
A:HEC910
|
3.1
|
28.1
|
1.0
|
|
C4C
|
A:HEC910
|
3.1
|
24.6
|
1.0
|
|
CHB
|
A:HEC910
|
3.4
|
27.1
|
1.0
|
|
CHC
|
A:HEC910
|
3.4
|
16.9
|
1.0
|
|
CHA
|
A:HEC910
|
3.5
|
26.0
|
1.0
|
|
CHD
|
A:HEC910
|
3.5
|
15.9
|
1.0
|
|
ND1
|
A:HIS789
|
3.9
|
15.3
|
1.0
|
|
ND1
|
A:HIS839
|
3.9
|
15.1
|
1.0
|
|
CG
|
A:HIS789
|
4.0
|
16.5
|
1.0
|
|
CG
|
A:HIS839
|
4.1
|
14.2
|
1.0
|
|
C2B
|
A:HEC910
|
4.2
|
21.4
|
1.0
|
|
C3B
|
A:HEC910
|
4.3
|
21.3
|
1.0
|
|
C3A
|
A:HEC910
|
4.3
|
30.5
|
1.0
|
|
C2A
|
A:HEC910
|
4.3
|
32.9
|
1.0
|
|
C2C
|
A:HEC910
|
4.3
|
20.2
|
1.0
|
|
C3D
|
A:HEC910
|
4.3
|
30.6
|
1.0
|
|
C2D
|
A:HEC910
|
4.4
|
22.3
|
1.0
|
|
C3C
|
A:HEC910
|
4.4
|
18.4
|
1.0
|
|
CBB
|
A:HEC909
|
4.5
|
13.4
|
1.0
|
|
Reference:
M.J.Edwards,
A.Hall,
L.Shi,
J.K.Fredrickson,
J.M.Zachara,
J.N.Butt,
D.J.Richardson,
T.A.Clarke.
The Crystal Structure of the Extracellular 11-Heme Cytochrome Unda Reveals A Conserved 10-Heme Motif and Defined Binding Site For Soluble Iron Chelates. Structure V. 20 1275 2012.
ISSN: ISSN 0969-2126
PubMed: 22682743
DOI: 10.1016/J.STR.2012.04.016
Page generated: Sun Aug 4 20:50:00 2024
|
