Iron in PDB 3pq4: Structure of I274C Variant of E. Coli Kate[] - Images 13-18
Enzymatic activity of Structure of I274C Variant of E. Coli Kate[] - Images 13-18
All present enzymatic activity of Structure of I274C Variant of E. Coli Kate[] - Images 13-18:
1.11.1.6;
Protein crystallography data
The structure of Structure of I274C Variant of E. Coli Kate[] - Images 13-18, PDB code: 3pq4
was solved by
P.C.Loewen,
V.Jha,
S.Louis,
P.Chelikani,
X.Carpena,
I.Fita,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.19 /
1.79
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.507,
133.031,
122.646,
90.00,
109.39,
90.00
|
R / Rfree (%)
|
14.1 /
18.9
|
Iron Binding Sites:
The binding sites of Iron atom in the Structure of I274C Variant of E. Coli Kate[] - Images 13-18
(pdb code 3pq4). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Structure of I274C Variant of E. Coli Kate[] - Images 13-18, PDB code: 3pq4:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 3pq4
Go back to
Iron Binding Sites List in 3pq4
Iron binding site 1 out
of 8 in the Structure of I274C Variant of E. Coli Kate[] - Images 13-18
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of I274C Variant of E. Coli Kate[] - Images 13-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe760
b:2.9
occ:0.50
|
FE
|
A:HDD760
|
0.0
|
2.9
|
0.5
|
FE
|
A:HDE761
|
0.5
|
11.1
|
0.5
|
NC
|
A:HDE761
|
1.7
|
8.3
|
0.5
|
OH
|
A:TYR415
|
1.8
|
7.2
|
1.0
|
NA
|
A:HDD760
|
2.0
|
3.0
|
0.5
|
NC
|
A:HDD760
|
2.0
|
5.5
|
0.5
|
NB
|
A:HDD760
|
2.1
|
7.3
|
0.5
|
NB
|
A:HDE761
|
2.1
|
10.2
|
0.5
|
ND
|
A:HDE761
|
2.1
|
6.6
|
0.5
|
ND
|
A:HDD760
|
2.1
|
3.4
|
0.5
|
O
|
A:HOH3592
|
2.3
|
14.3
|
1.0
|
NA
|
A:HDE761
|
2.4
|
9.1
|
0.5
|
C4C
|
A:HDE761
|
2.7
|
7.3
|
0.5
|
C1C
|
A:HDE761
|
2.7
|
10.7
|
0.5
|
C4B
|
A:HDE761
|
2.9
|
9.6
|
0.5
|
CZ
|
A:TYR415
|
2.9
|
5.0
|
1.0
|
C4C
|
A:HDD760
|
3.0
|
4.8
|
0.5
|
C4A
|
A:HDD760
|
3.0
|
3.0
|
0.5
|
C1A
|
A:HDD760
|
3.0
|
2.9
|
0.5
|
C1D
|
A:HDE761
|
3.0
|
6.2
|
0.5
|
C4B
|
A:HDD760
|
3.1
|
7.4
|
0.5
|
C1B
|
A:HDD760
|
3.1
|
5.3
|
0.5
|
C1C
|
A:HDD760
|
3.1
|
5.7
|
0.5
|
C1D
|
A:HDD760
|
3.1
|
2.9
|
0.5
|
C4D
|
A:HDD760
|
3.2
|
2.9
|
0.5
|
C1B
|
A:HDE761
|
3.2
|
11.1
|
0.5
|
CHC
|
A:HDE761
|
3.2
|
8.4
|
0.5
|
C4D
|
A:HDE761
|
3.2
|
5.8
|
0.5
|
CHD
|
A:HDE761
|
3.3
|
5.2
|
0.5
|
CHD
|
A:HDD760
|
3.4
|
4.7
|
0.5
|
C4A
|
A:HDE761
|
3.4
|
8.3
|
0.5
|
C1A
|
A:HDE761
|
3.4
|
8.0
|
0.5
|
CHB
|
A:HDD760
|
3.5
|
3.0
|
0.5
|
CHA
|
A:HDD760
|
3.5
|
2.9
|
0.5
|
CHC
|
A:HDD760
|
3.5
|
4.3
|
0.5
|
CE1
|
A:TYR415
|
3.6
|
4.4
|
1.0
|
CHA
|
A:HDE761
|
3.7
|
7.6
|
0.5
|
CHB
|
A:HDE761
|
3.8
|
10.7
|
0.5
|
CE2
|
A:TYR415
|
3.8
|
4.7
|
1.0
|
C3C
|
A:HDE761
|
3.9
|
9.2
|
0.5
|
NE
|
A:ARG411
|
3.9
|
5.2
|
1.0
|
C2C
|
A:HDE761
|
3.9
|
10.3
|
0.5
|
NH2
|
A:ARG411
|
4.0
|
4.0
|
1.0
|
C3B
|
A:HDE761
|
4.1
|
9.8
|
0.5
|
C3A
|
A:HDD760
|
4.2
|
4.1
|
0.5
|
C2A
|
A:HDD760
|
4.3
|
2.9
|
0.5
|
C3C
|
A:HDD760
|
4.3
|
2.9
|
0.5
|
C2B
|
A:HDE761
|
4.3
|
9.7
|
0.5
|
C3B
|
A:HDD760
|
4.3
|
6.8
|
0.5
|
C2C
|
A:HDD760
|
4.3
|
6.6
|
0.5
|
C2B
|
A:HDD760
|
4.3
|
5.5
|
0.5
|
O
|
A:HOH1080
|
4.3
|
28.8
|
1.0
|
C2D
|
A:HDE761
|
4.3
|
6.6
|
0.5
|
C2D
|
A:HDD760
|
4.4
|
4.7
|
0.5
|
CZ
|
A:ARG411
|
4.4
|
9.0
|
1.0
|
C3D
|
A:HDD760
|
4.4
|
2.9
|
0.5
|
C3D
|
A:HDE761
|
4.5
|
5.0
|
0.5
|
NE2
|
A:HIS128
|
4.6
|
8.0
|
1.0
|
CZ
|
A:PHE214
|
4.7
|
5.6
|
1.0
|
CD2
|
A:HIS128
|
4.7
|
5.0
|
1.0
|
C3A
|
A:HDE761
|
4.7
|
10.8
|
0.5
|
C2A
|
A:HDE761
|
4.8
|
8.5
|
0.5
|
CG2
|
A:VAL127
|
4.8
|
3.2
|
1.0
|
CD1
|
A:TYR415
|
4.9
|
4.8
|
1.0
|
|
Iron binding site 2 out
of 8 in 3pq4
Go back to
Iron Binding Sites List in 3pq4
Iron binding site 2 out
of 8 in the Structure of I274C Variant of E. Coli Kate[] - Images 13-18
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of I274C Variant of E. Coli Kate[] - Images 13-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe761
b:11.1
occ:0.50
|
FE
|
A:HDE761
|
0.0
|
11.1
|
0.5
|
FE
|
A:HDD760
|
0.5
|
2.9
|
0.5
|
ND
|
A:HDD760
|
1.7
|
3.4
|
0.5
|
NA
|
A:HDE761
|
2.0
|
9.1
|
0.5
|
NB
|
A:HDE761
|
2.0
|
10.2
|
0.5
|
NA
|
A:HDD760
|
2.0
|
3.0
|
0.5
|
NC
|
A:HDE761
|
2.0
|
8.3
|
0.5
|
O
|
A:HOH3592
|
2.0
|
14.3
|
1.0
|
ND
|
A:HDE761
|
2.1
|
6.6
|
0.5
|
NC
|
A:HDD760
|
2.1
|
5.5
|
0.5
|
OH
|
A:TYR415
|
2.2
|
7.2
|
1.0
|
NB
|
A:HDD760
|
2.5
|
7.3
|
0.5
|
C4D
|
A:HDD760
|
2.8
|
2.9
|
0.5
|
C1D
|
A:HDD760
|
2.8
|
2.9
|
0.5
|
C1A
|
A:HDD760
|
2.9
|
2.9
|
0.5
|
C4C
|
A:HDD760
|
3.0
|
4.8
|
0.5
|
C4B
|
A:HDE761
|
3.0
|
9.6
|
0.5
|
C4D
|
A:HDE761
|
3.0
|
5.8
|
0.5
|
C1B
|
A:HDE761
|
3.0
|
11.1
|
0.5
|
C1A
|
A:HDE761
|
3.1
|
8.0
|
0.5
|
C4A
|
A:HDE761
|
3.1
|
8.3
|
0.5
|
C4C
|
A:HDE761
|
3.1
|
7.3
|
0.5
|
CZ
|
A:TYR415
|
3.1
|
5.0
|
1.0
|
C1C
|
A:HDE761
|
3.1
|
10.7
|
0.5
|
CHA
|
A:HDD760
|
3.1
|
2.9
|
0.5
|
C1D
|
A:HDE761
|
3.1
|
6.2
|
0.5
|
C4A
|
A:HDD760
|
3.2
|
3.0
|
0.5
|
CHD
|
A:HDD760
|
3.2
|
4.7
|
0.5
|
C1C
|
A:HDD760
|
3.3
|
5.7
|
0.5
|
CHA
|
A:HDE761
|
3.4
|
7.6
|
0.5
|
CHC
|
A:HDE761
|
3.4
|
8.4
|
0.5
|
C1B
|
A:HDD760
|
3.5
|
5.3
|
0.5
|
CHB
|
A:HDE761
|
3.5
|
10.7
|
0.5
|
C4B
|
A:HDD760
|
3.5
|
7.4
|
0.5
|
CHD
|
A:HDE761
|
3.5
|
5.2
|
0.5
|
CE1
|
A:TYR415
|
3.7
|
4.4
|
1.0
|
CHB
|
A:HDD760
|
3.7
|
3.0
|
0.5
|
CHC
|
A:HDD760
|
3.8
|
4.3
|
0.5
|
CE2
|
A:TYR415
|
4.0
|
4.7
|
1.0
|
C2D
|
A:HDD760
|
4.0
|
4.7
|
0.5
|
C3D
|
A:HDD760
|
4.0
|
2.9
|
0.5
|
C2A
|
A:HDD760
|
4.2
|
2.9
|
0.5
|
C3B
|
A:HDE761
|
4.2
|
9.8
|
0.5
|
C2B
|
A:HDE761
|
4.2
|
9.7
|
0.5
|
C3C
|
A:HDD760
|
4.3
|
2.9
|
0.5
|
C3A
|
A:HDD760
|
4.3
|
4.1
|
0.5
|
C3C
|
A:HDE761
|
4.3
|
9.2
|
0.5
|
CG2
|
A:VAL127
|
4.3
|
3.2
|
1.0
|
O
|
A:HOH1080
|
4.4
|
28.8
|
1.0
|
C2C
|
A:HDE761
|
4.4
|
10.3
|
0.5
|
C3D
|
A:HDE761
|
4.4
|
5.0
|
0.5
|
C2D
|
A:HDE761
|
4.4
|
6.6
|
0.5
|
C3A
|
A:HDE761
|
4.4
|
10.8
|
0.5
|
NE
|
A:ARG411
|
4.4
|
5.2
|
1.0
|
C2A
|
A:HDE761
|
4.4
|
8.5
|
0.5
|
C2C
|
A:HDD760
|
4.4
|
6.6
|
0.5
|
NE2
|
A:HIS128
|
4.4
|
8.0
|
1.0
|
CD2
|
A:HIS128
|
4.5
|
5.0
|
1.0
|
NH2
|
A:ARG411
|
4.5
|
4.0
|
1.0
|
CZ
|
A:PHE214
|
4.5
|
5.6
|
1.0
|
C3B
|
A:HDD760
|
4.7
|
6.8
|
0.5
|
C2B
|
A:HDD760
|
4.7
|
5.5
|
0.5
|
O1D
|
A:HDD760
|
4.8
|
6.5
|
0.5
|
CZ
|
A:ARG411
|
4.9
|
9.0
|
1.0
|
CD1
|
A:TYR415
|
4.9
|
4.8
|
1.0
|
OND
|
A:HDD760
|
5.0
|
4.8
|
0.5
|
CMD
|
A:HDD760
|
5.0
|
4.2
|
0.5
|
|
Iron binding site 3 out
of 8 in 3pq4
Go back to
Iron Binding Sites List in 3pq4
Iron binding site 3 out
of 8 in the Structure of I274C Variant of E. Coli Kate[] - Images 13-18
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structure of I274C Variant of E. Coli Kate[] - Images 13-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe760
b:3.5
occ:0.50
|
FE
|
B:HDD760
|
0.0
|
3.5
|
0.5
|
FE
|
B:HDE761
|
0.4
|
14.3
|
0.5
|
NA
|
B:HDE761
|
1.8
|
12.6
|
0.5
|
OH
|
B:TYR415
|
1.8
|
7.5
|
1.0
|
NA
|
B:HDD760
|
2.0
|
4.0
|
0.5
|
NB
|
B:HDD760
|
2.1
|
4.5
|
0.5
|
NC
|
B:HDD760
|
2.1
|
5.9
|
0.5
|
ND
|
B:HDE761
|
2.1
|
10.4
|
0.5
|
NB
|
B:HDE761
|
2.1
|
11.9
|
0.5
|
ND
|
B:HDD760
|
2.1
|
5.5
|
0.5
|
NC
|
B:HDE761
|
2.3
|
12.3
|
0.5
|
O
|
B:HOH3593
|
2.5
|
17.2
|
1.0
|
CZ
|
B:TYR415
|
2.8
|
7.7
|
1.0
|
C4A
|
B:HDE761
|
2.8
|
12.8
|
0.5
|
C1A
|
B:HDE761
|
2.8
|
12.9
|
0.5
|
C1B
|
B:HDE761
|
3.0
|
10.9
|
0.5
|
C4A
|
B:HDD760
|
3.0
|
3.1
|
0.5
|
C4D
|
B:HDE761
|
3.0
|
7.7
|
0.5
|
C1A
|
B:HDD760
|
3.0
|
3.0
|
0.5
|
C4C
|
B:HDD760
|
3.1
|
3.1
|
0.5
|
C1B
|
B:HDD760
|
3.1
|
3.2
|
0.5
|
C4B
|
B:HDD760
|
3.1
|
4.5
|
0.5
|
C1D
|
B:HDD760
|
3.1
|
5.0
|
0.5
|
C1C
|
B:HDD760
|
3.1
|
5.6
|
0.5
|
C4D
|
B:HDD760
|
3.2
|
4.4
|
0.5
|
C4B
|
B:HDE761
|
3.2
|
12.0
|
0.5
|
C1D
|
B:HDE761
|
3.2
|
7.5
|
0.5
|
C4C
|
B:HDE761
|
3.2
|
7.8
|
0.5
|
CHB
|
B:HDE761
|
3.3
|
11.2
|
0.5
|
CHA
|
B:HDE761
|
3.3
|
11.2
|
0.5
|
C1C
|
B:HDE761
|
3.3
|
12.4
|
0.5
|
CHB
|
B:HDD760
|
3.4
|
3.2
|
0.5
|
CHD
|
B:HDD760
|
3.4
|
4.4
|
0.5
|
CE1
|
B:TYR415
|
3.4
|
3.2
|
1.0
|
CHC
|
B:HDD760
|
3.5
|
3.9
|
0.5
|
CHA
|
B:HDD760
|
3.5
|
4.6
|
0.5
|
CHD
|
B:HDE761
|
3.6
|
6.4
|
0.5
|
CHC
|
B:HDE761
|
3.7
|
12.5
|
0.5
|
CE2
|
B:TYR415
|
3.8
|
10.4
|
1.0
|
C2A
|
B:HDE761
|
4.1
|
13.2
|
0.5
|
NE
|
B:ARG411
|
4.1
|
6.1
|
1.0
|
C3A
|
B:HDE761
|
4.1
|
13.7
|
0.5
|
NH2
|
B:ARG411
|
4.2
|
7.5
|
1.0
|
C2B
|
B:HDE761
|
4.2
|
10.0
|
0.5
|
C3A
|
B:HDD760
|
4.2
|
4.0
|
0.5
|
C2A
|
B:HDD760
|
4.2
|
3.0
|
0.5
|
C2B
|
B:HDD760
|
4.3
|
3.7
|
0.5
|
C3B
|
B:HDD760
|
4.3
|
8.5
|
0.5
|
C3C
|
B:HDD760
|
4.3
|
4.5
|
0.5
|
C2C
|
B:HDD760
|
4.3
|
6.8
|
0.5
|
C3B
|
B:HDE761
|
4.3
|
13.1
|
0.5
|
C3D
|
B:HDE761
|
4.4
|
6.0
|
0.5
|
C2D
|
B:HDD760
|
4.4
|
3.0
|
0.5
|
C2D
|
B:HDE761
|
4.4
|
7.4
|
0.5
|
C3C
|
B:HDE761
|
4.4
|
9.0
|
0.5
|
C3D
|
B:HDD760
|
4.4
|
5.6
|
0.5
|
O
|
B:HOH840
|
4.5
|
31.9
|
1.0
|
C2C
|
B:HDE761
|
4.5
|
11.6
|
0.5
|
CZ
|
B:ARG411
|
4.6
|
11.4
|
1.0
|
NE2
|
B:HIS128
|
4.7
|
6.8
|
1.0
|
CZ
|
B:PHE214
|
4.7
|
5.9
|
1.0
|
CD1
|
B:TYR415
|
4.7
|
5.0
|
1.0
|
CG2
|
B:VAL127
|
4.8
|
7.5
|
1.0
|
CD2
|
B:HIS128
|
4.8
|
3.2
|
1.0
|
O1A
|
B:HDE761
|
4.8
|
15.4
|
0.5
|
ONA
|
B:HDE761
|
4.9
|
11.6
|
0.5
|
CD2
|
B:TYR415
|
4.9
|
6.7
|
1.0
|
|
Iron binding site 4 out
of 8 in 3pq4
Go back to
Iron Binding Sites List in 3pq4
Iron binding site 4 out
of 8 in the Structure of I274C Variant of E. Coli Kate[] - Images 13-18
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structure of I274C Variant of E. Coli Kate[] - Images 13-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe761
b:14.3
occ:0.50
|
FE
|
B:HDE761
|
0.0
|
14.3
|
0.5
|
FE
|
B:HDD760
|
0.4
|
3.5
|
0.5
|
NB
|
B:HDD760
|
1.8
|
4.5
|
0.5
|
NA
|
B:HDE761
|
2.0
|
12.6
|
0.5
|
NA
|
B:HDD760
|
2.0
|
4.0
|
0.5
|
NB
|
B:HDE761
|
2.0
|
11.9
|
0.5
|
NC
|
B:HDE761
|
2.0
|
12.3
|
0.5
|
O
|
B:HOH3593
|
2.1
|
17.2
|
1.0
|
NC
|
B:HDD760
|
2.1
|
5.9
|
0.5
|
ND
|
B:HDE761
|
2.1
|
10.4
|
0.5
|
OH
|
B:TYR415
|
2.2
|
7.5
|
1.0
|
ND
|
B:HDD760
|
2.4
|
5.5
|
0.5
|
C4B
|
B:HDD760
|
2.8
|
4.5
|
0.5
|
C1B
|
B:HDD760
|
2.9
|
3.2
|
0.5
|
C4A
|
B:HDD760
|
2.9
|
3.1
|
0.5
|
C1C
|
B:HDD760
|
3.0
|
5.6
|
0.5
|
C1B
|
B:HDE761
|
3.0
|
10.9
|
0.5
|
C4A
|
B:HDE761
|
3.0
|
12.8
|
0.5
|
C4C
|
B:HDE761
|
3.0
|
7.8
|
0.5
|
C1A
|
B:HDE761
|
3.0
|
12.9
|
0.5
|
C4B
|
B:HDE761
|
3.1
|
12.0
|
0.5
|
C1C
|
B:HDE761
|
3.1
|
12.4
|
0.5
|
C4D
|
B:HDE761
|
3.1
|
7.7
|
0.5
|
C1A
|
B:HDD760
|
3.1
|
3.0
|
0.5
|
C4C
|
B:HDD760
|
3.2
|
3.1
|
0.5
|
C1D
|
B:HDE761
|
3.2
|
7.5
|
0.5
|
CZ
|
B:TYR415
|
3.2
|
7.7
|
1.0
|
CHB
|
B:HDD760
|
3.2
|
3.2
|
0.5
|
CHC
|
B:HDD760
|
3.3
|
3.9
|
0.5
|
C1D
|
B:HDD760
|
3.3
|
5.0
|
0.5
|
C4D
|
B:HDD760
|
3.4
|
4.4
|
0.5
|
CHA
|
B:HDE761
|
3.4
|
11.2
|
0.5
|
CHB
|
B:HDE761
|
3.4
|
11.2
|
0.5
|
CHC
|
B:HDE761
|
3.4
|
12.5
|
0.5
|
CHD
|
B:HDE761
|
3.5
|
6.4
|
0.5
|
CHD
|
B:HDD760
|
3.6
|
4.4
|
0.5
|
CHA
|
B:HDD760
|
3.7
|
4.6
|
0.5
|
CE1
|
B:TYR415
|
3.9
|
3.2
|
1.0
|
C3B
|
B:HDD760
|
4.0
|
8.5
|
0.5
|
C2B
|
B:HDD760
|
4.1
|
3.7
|
0.5
|
O
|
B:HOH840
|
4.1
|
31.9
|
1.0
|
CE2
|
B:TYR415
|
4.2
|
10.4
|
1.0
|
C3A
|
B:HDD760
|
4.2
|
4.0
|
0.5
|
C3C
|
B:HDE761
|
4.2
|
9.0
|
0.5
|
C2C
|
B:HDD760
|
4.2
|
6.8
|
0.5
|
C2B
|
B:HDE761
|
4.2
|
10.0
|
0.5
|
C3B
|
B:HDE761
|
4.3
|
13.1
|
0.5
|
NE
|
B:ARG411
|
4.3
|
6.1
|
1.0
|
C2A
|
B:HDD760
|
4.3
|
3.0
|
0.5
|
C2C
|
B:HDE761
|
4.3
|
11.6
|
0.5
|
C3C
|
B:HDD760
|
4.3
|
4.5
|
0.5
|
NH2
|
B:ARG411
|
4.4
|
7.5
|
1.0
|
C2A
|
B:HDE761
|
4.4
|
13.2
|
0.5
|
NE2
|
B:HIS128
|
4.4
|
6.8
|
1.0
|
C3A
|
B:HDE761
|
4.4
|
13.7
|
0.5
|
C2D
|
B:HDE761
|
4.4
|
7.4
|
0.5
|
C3D
|
B:HDE761
|
4.4
|
6.0
|
0.5
|
CZ
|
B:PHE214
|
4.4
|
5.9
|
1.0
|
CD2
|
B:HIS128
|
4.5
|
3.2
|
1.0
|
CG2
|
B:VAL127
|
4.6
|
7.5
|
1.0
|
C2D
|
B:HDD760
|
4.6
|
3.0
|
0.5
|
C3D
|
B:HDD760
|
4.7
|
5.6
|
0.5
|
CZ
|
B:ARG411
|
4.7
|
11.4
|
1.0
|
|
Iron binding site 5 out
of 8 in 3pq4
Go back to
Iron Binding Sites List in 3pq4
Iron binding site 5 out
of 8 in the Structure of I274C Variant of E. Coli Kate[] - Images 13-18
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Structure of I274C Variant of E. Coli Kate[] - Images 13-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe760
b:4.0
occ:0.50
|
FE
|
C:HDD760
|
0.0
|
4.0
|
0.5
|
FE
|
C:HDE761
|
0.4
|
13.3
|
0.5
|
OH
|
C:TYR415
|
1.9
|
10.1
|
1.0
|
NA
|
C:HDE761
|
1.9
|
10.9
|
0.5
|
NB
|
C:HDE761
|
2.0
|
11.3
|
0.5
|
NA
|
C:HDD760
|
2.0
|
4.5
|
0.5
|
NC
|
C:HDD760
|
2.0
|
4.5
|
0.5
|
NB
|
C:HDD760
|
2.1
|
6.4
|
0.5
|
NC
|
C:HDE761
|
2.1
|
10.3
|
0.5
|
ND
|
C:HDD760
|
2.2
|
5.4
|
0.5
|
ND
|
C:HDE761
|
2.2
|
11.2
|
0.5
|
O
|
C:HOH3277
|
2.5
|
14.3
|
1.0
|
CZ
|
C:TYR415
|
2.9
|
7.5
|
1.0
|
C1B
|
C:HDE761
|
2.9
|
9.8
|
0.5
|
C4A
|
C:HDE761
|
2.9
|
10.7
|
0.5
|
C4B
|
C:HDE761
|
3.0
|
11.8
|
0.5
|
C1A
|
C:HDE761
|
3.0
|
10.2
|
0.5
|
C1C
|
C:HDD760
|
3.0
|
7.6
|
0.5
|
C1A
|
C:HDD760
|
3.0
|
3.1
|
0.5
|
C4A
|
C:HDD760
|
3.0
|
4.9
|
0.5
|
C4C
|
C:HDD760
|
3.1
|
3.9
|
0.5
|
C4B
|
C:HDD760
|
3.1
|
7.3
|
0.5
|
C1C
|
C:HDE761
|
3.1
|
11.5
|
0.5
|
C1B
|
C:HDD760
|
3.1
|
5.4
|
0.5
|
C4C
|
C:HDE761
|
3.1
|
9.1
|
0.5
|
C4D
|
C:HDE761
|
3.2
|
9.7
|
0.5
|
C4D
|
C:HDD760
|
3.2
|
2.9
|
0.5
|
C1D
|
C:HDD760
|
3.2
|
2.9
|
0.5
|
C1D
|
C:HDE761
|
3.3
|
10.4
|
0.5
|
CHB
|
C:HDE761
|
3.4
|
8.8
|
0.5
|
CHC
|
C:HDD760
|
3.4
|
4.7
|
0.5
|
CHC
|
C:HDE761
|
3.5
|
10.8
|
0.5
|
CHA
|
C:HDD760
|
3.5
|
4.8
|
0.5
|
CHB
|
C:HDD760
|
3.5
|
3.1
|
0.5
|
CHA
|
C:HDE761
|
3.5
|
10.8
|
0.5
|
CHD
|
C:HDD760
|
3.5
|
2.9
|
0.5
|
CE1
|
C:TYR415
|
3.6
|
4.5
|
1.0
|
CHD
|
C:HDE761
|
3.6
|
9.1
|
0.5
|
CE2
|
C:TYR415
|
3.8
|
8.8
|
1.0
|
NE
|
C:ARG411
|
4.0
|
4.3
|
1.0
|
C2B
|
C:HDE761
|
4.1
|
11.4
|
0.5
|
C3B
|
C:HDE761
|
4.1
|
10.2
|
0.5
|
NH2
|
C:ARG411
|
4.2
|
6.1
|
1.0
|
C2A
|
C:HDE761
|
4.2
|
11.1
|
0.5
|
C2C
|
C:HDD760
|
4.2
|
6.3
|
0.5
|
C3C
|
C:HDD760
|
4.3
|
4.3
|
0.5
|
C3A
|
C:HDE761
|
4.3
|
11.1
|
0.5
|
C3A
|
C:HDD760
|
4.3
|
3.5
|
0.5
|
C2A
|
C:HDD760
|
4.3
|
3.0
|
0.5
|
O
|
C:HOH1263
|
4.3
|
28.3
|
1.0
|
C3C
|
C:HDE761
|
4.3
|
10.2
|
0.5
|
C3B
|
C:HDD760
|
4.3
|
8.9
|
0.5
|
C2C
|
C:HDE761
|
4.3
|
12.3
|
0.5
|
C2B
|
C:HDD760
|
4.3
|
6.9
|
0.5
|
C3D
|
C:HDD760
|
4.5
|
3.7
|
0.5
|
C2D
|
C:HDE761
|
4.5
|
8.2
|
0.5
|
C3D
|
C:HDE761
|
4.5
|
8.3
|
0.5
|
C2D
|
C:HDD760
|
4.5
|
3.5
|
0.5
|
CZ
|
C:ARG411
|
4.5
|
9.7
|
1.0
|
NE2
|
C:HIS128
|
4.7
|
6.3
|
1.0
|
CZ
|
C:PHE214
|
4.7
|
6.3
|
1.0
|
CD2
|
C:HIS128
|
4.8
|
4.5
|
1.0
|
CG2
|
C:VAL127
|
4.8
|
5.9
|
1.0
|
CD1
|
C:TYR415
|
4.9
|
5.3
|
1.0
|
O1A
|
C:HDE761
|
4.9
|
14.6
|
0.5
|
|
Iron binding site 6 out
of 8 in 3pq4
Go back to
Iron Binding Sites List in 3pq4
Iron binding site 6 out
of 8 in the Structure of I274C Variant of E. Coli Kate[] - Images 13-18
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Structure of I274C Variant of E. Coli Kate[] - Images 13-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe761
b:13.3
occ:0.50
|
FE
|
C:HDE761
|
0.0
|
13.3
|
0.5
|
FE
|
C:HDD760
|
0.4
|
4.0
|
0.5
|
NA
|
C:HDD760
|
1.9
|
4.5
|
0.5
|
NA
|
C:HDE761
|
2.0
|
10.9
|
0.5
|
NB
|
C:HDE761
|
2.0
|
11.3
|
0.5
|
NC
|
C:HDE761
|
2.0
|
10.3
|
0.5
|
NB
|
C:HDD760
|
2.0
|
6.4
|
0.5
|
ND
|
C:HDE761
|
2.1
|
11.2
|
0.5
|
O
|
C:HOH3277
|
2.2
|
14.3
|
1.0
|
NC
|
C:HDD760
|
2.2
|
4.5
|
0.5
|
OH
|
C:TYR415
|
2.2
|
10.1
|
1.0
|
ND
|
C:HDD760
|
2.3
|
5.4
|
0.5
|
C4A
|
C:HDD760
|
2.9
|
4.9
|
0.5
|
C1A
|
C:HDD760
|
2.9
|
3.1
|
0.5
|
C1A
|
C:HDE761
|
3.0
|
10.2
|
0.5
|
C1B
|
C:HDE761
|
3.0
|
9.8
|
0.5
|
C4B
|
C:HDE761
|
3.0
|
11.8
|
0.5
|
C1B
|
C:HDD760
|
3.0
|
5.4
|
0.5
|
C4A
|
C:HDE761
|
3.0
|
10.7
|
0.5
|
C4C
|
C:HDE761
|
3.1
|
9.1
|
0.5
|
C4B
|
C:HDD760
|
3.1
|
7.3
|
0.5
|
C1C
|
C:HDE761
|
3.1
|
11.5
|
0.5
|
C4D
|
C:HDE761
|
3.1
|
9.7
|
0.5
|
C1C
|
C:HDD760
|
3.1
|
7.6
|
0.5
|
C1D
|
C:HDE761
|
3.2
|
10.4
|
0.5
|
C4D
|
C:HDD760
|
3.2
|
2.9
|
0.5
|
C4C
|
C:HDD760
|
3.2
|
3.9
|
0.5
|
CZ
|
C:TYR415
|
3.2
|
7.5
|
1.0
|
C1D
|
C:HDD760
|
3.3
|
2.9
|
0.5
|
CHB
|
C:HDD760
|
3.4
|
3.1
|
0.5
|
CHA
|
C:HDE761
|
3.4
|
10.8
|
0.5
|
CHA
|
C:HDD760
|
3.4
|
4.8
|
0.5
|
CHC
|
C:HDE761
|
3.4
|
10.8
|
0.5
|
CHC
|
C:HDD760
|
3.5
|
4.7
|
0.5
|
CHB
|
C:HDE761
|
3.5
|
8.8
|
0.5
|
CHD
|
C:HDE761
|
3.5
|
9.1
|
0.5
|
CHD
|
C:HDD760
|
3.7
|
2.9
|
0.5
|
CE1
|
C:TYR415
|
3.9
|
4.5
|
1.0
|
O
|
C:HOH1263
|
4.0
|
28.3
|
1.0
|
CE2
|
C:TYR415
|
4.1
|
8.8
|
1.0
|
C3A
|
C:HDD760
|
4.1
|
3.5
|
0.5
|
C2A
|
C:HDD760
|
4.2
|
3.0
|
0.5
|
C3B
|
C:HDE761
|
4.2
|
10.2
|
0.5
|
C2B
|
C:HDE761
|
4.2
|
11.4
|
0.5
|
C3B
|
C:HDD760
|
4.3
|
8.9
|
0.5
|
C2B
|
C:HDD760
|
4.3
|
6.9
|
0.5
|
C3C
|
C:HDE761
|
4.3
|
10.2
|
0.5
|
NE
|
C:ARG411
|
4.3
|
4.3
|
1.0
|
C2A
|
C:HDE761
|
4.3
|
11.1
|
0.5
|
C2C
|
C:HDE761
|
4.3
|
12.3
|
0.5
|
NE2
|
C:HIS128
|
4.3
|
6.3
|
1.0
|
C3A
|
C:HDE761
|
4.3
|
11.1
|
0.5
|
C2C
|
C:HDD760
|
4.3
|
6.3
|
0.5
|
C3C
|
C:HDD760
|
4.4
|
4.3
|
0.5
|
NH2
|
C:ARG411
|
4.4
|
6.1
|
1.0
|
C2D
|
C:HDE761
|
4.4
|
8.2
|
0.5
|
C3D
|
C:HDE761
|
4.4
|
8.3
|
0.5
|
CD2
|
C:HIS128
|
4.5
|
4.5
|
1.0
|
C3D
|
C:HDD760
|
4.5
|
3.7
|
0.5
|
CZ
|
C:PHE214
|
4.5
|
6.3
|
1.0
|
CG2
|
C:VAL127
|
4.6
|
5.9
|
1.0
|
C2D
|
C:HDD760
|
4.6
|
3.5
|
0.5
|
CZ
|
C:ARG411
|
4.8
|
9.7
|
1.0
|
|
Iron binding site 7 out
of 8 in 3pq4
Go back to
Iron Binding Sites List in 3pq4
Iron binding site 7 out
of 8 in the Structure of I274C Variant of E. Coli Kate[] - Images 13-18
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Structure of I274C Variant of E. Coli Kate[] - Images 13-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe760
b:3.1
occ:0.50
|
FE
|
D:HDD760
|
0.0
|
3.1
|
0.5
|
FE
|
D:HDE761
|
0.3
|
13.2
|
0.5
|
NA
|
D:HDE761
|
1.9
|
10.5
|
0.5
|
OH
|
D:TYR415
|
1.9
|
7.5
|
1.0
|
NA
|
D:HDD760
|
1.9
|
4.5
|
0.5
|
NB
|
D:HDE761
|
2.0
|
9.6
|
0.5
|
NC
|
D:HDD760
|
2.1
|
3.6
|
0.5
|
NB
|
D:HDD760
|
2.1
|
6.0
|
0.5
|
ND
|
D:HDE761
|
2.1
|
10.2
|
0.5
|
NC
|
D:HDE761
|
2.1
|
10.2
|
0.5
|
ND
|
D:HDD760
|
2.2
|
5.3
|
0.5
|
O
|
D:HOH3252
|
2.5
|
14.2
|
1.0
|
CZ
|
D:TYR415
|
2.9
|
6.6
|
1.0
|
C4A
|
D:HDD760
|
3.0
|
2.9
|
0.5
|
C4A
|
D:HDE761
|
3.0
|
11.5
|
0.5
|
C1A
|
D:HDE761
|
3.0
|
9.8
|
0.5
|
C1B
|
D:HDE761
|
3.0
|
8.0
|
0.5
|
C1A
|
D:HDD760
|
3.0
|
2.8
|
0.5
|
C4B
|
D:HDE761
|
3.1
|
8.1
|
0.5
|
C4D
|
D:HDE761
|
3.1
|
8.8
|
0.5
|
C1B
|
D:HDD760
|
3.1
|
4.8
|
0.5
|
C4C
|
D:HDD760
|
3.1
|
2.9
|
0.5
|
C4C
|
D:HDE761
|
3.1
|
9.2
|
0.5
|
C1C
|
D:HDD760
|
3.1
|
2.9
|
0.5
|
C4B
|
D:HDD760
|
3.1
|
6.9
|
0.5
|
C1C
|
D:HDE761
|
3.2
|
8.7
|
0.5
|
C1D
|
D:HDD760
|
3.2
|
3.8
|
0.5
|
C1D
|
D:HDE761
|
3.2
|
8.3
|
0.5
|
C4D
|
D:HDD760
|
3.3
|
2.8
|
0.5
|
CHB
|
D:HDD760
|
3.4
|
4.2
|
0.5
|
CHA
|
D:HDE761
|
3.4
|
6.5
|
0.5
|
CHB
|
D:HDE761
|
3.4
|
6.8
|
0.5
|
CHD
|
D:HDD760
|
3.5
|
2.8
|
0.5
|
CHC
|
D:HDE761
|
3.5
|
5.7
|
0.5
|
CHC
|
D:HDD760
|
3.5
|
5.5
|
0.5
|
CHA
|
D:HDD760
|
3.5
|
2.8
|
0.5
|
CHD
|
D:HDE761
|
3.6
|
9.2
|
0.5
|
CE1
|
D:TYR415
|
3.6
|
4.1
|
1.0
|
CE2
|
D:TYR415
|
3.8
|
7.6
|
1.0
|
NE
|
D:ARG411
|
4.0
|
6.1
|
1.0
|
NH2
|
D:ARG411
|
4.1
|
7.1
|
1.0
|
C2B
|
D:HDE761
|
4.2
|
10.0
|
0.5
|
C3A
|
D:HDD760
|
4.2
|
2.9
|
0.5
|
C3B
|
D:HDE761
|
4.2
|
7.9
|
0.5
|
C2A
|
D:HDD760
|
4.2
|
2.8
|
0.5
|
C2A
|
D:HDE761
|
4.2
|
11.5
|
0.5
|
C3A
|
D:HDE761
|
4.3
|
13.0
|
0.5
|
C3C
|
D:HDD760
|
4.3
|
4.5
|
0.5
|
C3C
|
D:HDE761
|
4.3
|
8.8
|
0.5
|
C2C
|
D:HDD760
|
4.3
|
3.3
|
0.5
|
C3B
|
D:HDD760
|
4.3
|
9.3
|
0.5
|
C2B
|
D:HDD760
|
4.3
|
6.2
|
0.5
|
C2C
|
D:HDE761
|
4.4
|
11.6
|
0.5
|
C3D
|
D:HDE761
|
4.4
|
7.2
|
0.5
|
C2D
|
D:HDE761
|
4.4
|
5.7
|
0.5
|
C2D
|
D:HDD760
|
4.4
|
5.9
|
0.5
|
C3D
|
D:HDD760
|
4.5
|
3.0
|
0.5
|
CZ
|
D:ARG411
|
4.5
|
7.0
|
1.0
|
O
|
D:HOH1264
|
4.6
|
28.3
|
1.0
|
NE2
|
D:HIS128
|
4.6
|
5.5
|
1.0
|
CZ
|
D:PHE214
|
4.7
|
7.2
|
1.0
|
CG2
|
D:VAL127
|
4.7
|
3.1
|
1.0
|
CD2
|
D:HIS128
|
4.8
|
3.7
|
1.0
|
CD1
|
D:TYR415
|
4.9
|
7.2
|
1.0
|
O1A
|
D:HDE761
|
5.0
|
15.2
|
0.5
|
CD2
|
D:TYR415
|
5.0
|
7.2
|
1.0
|
|
Iron binding site 8 out
of 8 in 3pq4
Go back to
Iron Binding Sites List in 3pq4
Iron binding site 8 out
of 8 in the Structure of I274C Variant of E. Coli Kate[] - Images 13-18
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Structure of I274C Variant of E. Coli Kate[] - Images 13-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe761
b:13.2
occ:0.50
|
FE
|
D:HDE761
|
0.0
|
13.2
|
0.5
|
FE
|
D:HDD760
|
0.3
|
3.1
|
0.5
|
NA
|
D:HDD760
|
1.9
|
4.5
|
0.5
|
NA
|
D:HDE761
|
2.0
|
10.5
|
0.5
|
NB
|
D:HDE761
|
2.0
|
9.6
|
0.5
|
NC
|
D:HDE761
|
2.0
|
10.2
|
0.5
|
NB
|
D:HDD760
|
2.0
|
6.0
|
0.5
|
ND
|
D:HDE761
|
2.1
|
10.2
|
0.5
|
NC
|
D:HDD760
|
2.1
|
3.6
|
0.5
|
O
|
D:HOH3252
|
2.1
|
14.2
|
1.0
|
OH
|
D:TYR415
|
2.2
|
7.5
|
1.0
|
ND
|
D:HDD760
|
2.3
|
5.3
|
0.5
|
C4A
|
D:HDD760
|
2.9
|
2.9
|
0.5
|
C4B
|
D:HDE761
|
3.0
|
8.1
|
0.5
|
C1B
|
D:HDD760
|
3.0
|
4.8
|
0.5
|
C1A
|
D:HDD760
|
3.0
|
2.8
|
0.5
|
C4C
|
D:HDE761
|
3.0
|
9.2
|
0.5
|
C1A
|
D:HDE761
|
3.0
|
9.8
|
0.5
|
C1B
|
D:HDE761
|
3.1
|
8.0
|
0.5
|
C1C
|
D:HDE761
|
3.1
|
8.7
|
0.5
|
C4B
|
D:HDD760
|
3.1
|
6.9
|
0.5
|
C4A
|
D:HDE761
|
3.1
|
11.5
|
0.5
|
C4D
|
D:HDE761
|
3.1
|
8.8
|
0.5
|
C1C
|
D:HDD760
|
3.1
|
2.9
|
0.5
|
C4C
|
D:HDD760
|
3.2
|
2.9
|
0.5
|
C1D
|
D:HDE761
|
3.2
|
8.3
|
0.5
|
CZ
|
D:TYR415
|
3.2
|
6.6
|
1.0
|
C1D
|
D:HDD760
|
3.3
|
3.8
|
0.5
|
C4D
|
D:HDD760
|
3.3
|
2.8
|
0.5
|
CHB
|
D:HDD760
|
3.3
|
4.2
|
0.5
|
CHC
|
D:HDE761
|
3.4
|
5.7
|
0.5
|
CHA
|
D:HDE761
|
3.4
|
6.5
|
0.5
|
CHC
|
D:HDD760
|
3.5
|
5.5
|
0.5
|
CHB
|
D:HDE761
|
3.5
|
6.8
|
0.5
|
CHD
|
D:HDE761
|
3.5
|
9.2
|
0.5
|
CHA
|
D:HDD760
|
3.6
|
2.8
|
0.5
|
CHD
|
D:HDD760
|
3.6
|
2.8
|
0.5
|
CE1
|
D:TYR415
|
3.9
|
4.1
|
1.0
|
CE2
|
D:TYR415
|
4.1
|
7.6
|
1.0
|
C3A
|
D:HDD760
|
4.2
|
2.9
|
0.5
|
C3B
|
D:HDE761
|
4.2
|
7.9
|
0.5
|
C2A
|
D:HDD760
|
4.2
|
2.8
|
0.5
|
C2B
|
D:HDE761
|
4.2
|
10.0
|
0.5
|
C3C
|
D:HDE761
|
4.3
|
8.8
|
0.5
|
C3B
|
D:HDD760
|
4.3
|
9.3
|
0.5
|
NE
|
D:ARG411
|
4.3
|
6.1
|
1.0
|
C2B
|
D:HDD760
|
4.3
|
6.2
|
0.5
|
C2C
|
D:HDE761
|
4.3
|
11.6
|
0.5
|
O
|
D:HOH1264
|
4.3
|
28.3
|
1.0
|
NH2
|
D:ARG411
|
4.3
|
7.1
|
1.0
|
C2C
|
D:HDD760
|
4.3
|
3.3
|
0.5
|
C3C
|
D:HDD760
|
4.3
|
4.5
|
0.5
|
C2A
|
D:HDE761
|
4.4
|
11.5
|
0.5
|
C3A
|
D:HDE761
|
4.4
|
13.0
|
0.5
|
C2D
|
D:HDE761
|
4.4
|
5.7
|
0.5
|
NE2
|
D:HIS128
|
4.4
|
5.5
|
1.0
|
C3D
|
D:HDE761
|
4.4
|
7.2
|
0.5
|
CZ
|
D:PHE214
|
4.5
|
7.2
|
1.0
|
CG2
|
D:VAL127
|
4.5
|
3.1
|
1.0
|
C2D
|
D:HDD760
|
4.5
|
5.9
|
0.5
|
CD2
|
D:HIS128
|
4.5
|
3.7
|
1.0
|
C3D
|
D:HDD760
|
4.6
|
3.0
|
0.5
|
CZ
|
D:ARG411
|
4.7
|
7.0
|
1.0
|
|
Reference:
V.Jha,
S.Louis,
P.Chelikani,
X.Carpena,
L.J.Donald,
I.Fita,
P.C.Loewen.
Modulation of Heme Orientation and Binding By A Single Residue in Catalase Hpii of Escherichia Coli. Biochemistry V. 50 2101 2011.
ISSN: ISSN 0006-2960
PubMed: 21332158
DOI: 10.1021/BI200027V
Page generated: Sun Aug 4 18:07:24 2024
|