Iron in PDB 4env: Structure of the S234I Variant of E. Coli Kate
Enzymatic activity of Structure of the S234I Variant of E. Coli Kate
All present enzymatic activity of Structure of the S234I Variant of E. Coli Kate:
1.11.1.6;
Protein crystallography data
The structure of Structure of the S234I Variant of E. Coli Kate, PDB code: 4env
was solved by
P.C.Loewen,
V.Jha,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
32.12 /
1.70
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.230,
133.130,
122.710,
90.00,
109.39,
90.00
|
|
R / Rfree (%)
|
16.7 /
20.7
|
Iron Binding Sites:
The binding sites of Iron atom in the Structure of the S234I Variant of E. Coli Kate
(pdb code 4env). 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 the S234I Variant of E. Coli Kate, PDB code: 4env:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 4env
Go back to
Iron Binding Sites List in 4env
Iron binding site 1 out
of 8 in the Structure of the S234I Variant of E. Coli Kate
 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 S234I Variant of E. Coli Kate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:8.7
occ:0.60
|
FE
|
A:HDD801
|
0.0
|
8.7
|
0.6
|
|
FE
|
A:HEM802
|
0.3
|
6.8
|
0.4
|
|
ND
|
A:HEM802
|
1.9
|
6.7
|
0.4
|
|
NA
|
A:HEM802
|
1.9
|
6.7
|
0.4
|
|
ND
|
A:HDD801
|
1.9
|
9.2
|
0.6
|
|
NC
|
A:HEM802
|
1.9
|
6.9
|
0.4
|
|
NA
|
A:HDD801
|
2.1
|
8.2
|
0.6
|
|
OH
|
A:TYR415
|
2.1
|
7.7
|
1.0
|
|
NC
|
A:HDD801
|
2.1
|
8.4
|
0.6
|
|
NB
|
A:HDD801
|
2.1
|
8.6
|
0.6
|
|
O
|
A:HOH1527
|
2.1
|
23.8
|
1.0
|
|
NB
|
A:HEM802
|
2.3
|
7.3
|
0.4
|
|
C1A
|
A:HEM802
|
2.9
|
6.5
|
0.4
|
|
C4D
|
A:HEM802
|
2.9
|
6.3
|
0.4
|
|
C1D
|
A:HEM802
|
2.9
|
6.5
|
0.4
|
|
C1D
|
A:HDD801
|
2.9
|
9.6
|
0.6
|
|
C4C
|
A:HEM802
|
3.0
|
6.8
|
0.4
|
|
C4D
|
A:HDD801
|
3.0
|
9.1
|
0.6
|
|
C1A
|
A:HDD801
|
3.0
|
8.1
|
0.6
|
|
CZ
|
A:TYR415
|
3.0
|
7.9
|
1.0
|
|
C4C
|
A:HDD801
|
3.1
|
8.5
|
0.6
|
|
C4A
|
A:HEM802
|
3.1
|
6.6
|
0.4
|
|
C1C
|
A:HEM802
|
3.1
|
7.0
|
0.4
|
|
C4B
|
A:HDD801
|
3.1
|
8.0
|
0.6
|
|
C4A
|
A:HDD801
|
3.1
|
7.8
|
0.6
|
|
C1B
|
A:HDD801
|
3.1
|
7.8
|
0.6
|
|
C1C
|
A:HDD801
|
3.2
|
8.2
|
0.6
|
|
C4B
|
A:HEM802
|
3.3
|
7.3
|
0.4
|
|
C1B
|
A:HEM802
|
3.3
|
7.2
|
0.4
|
|
CHA
|
A:HDD801
|
3.3
|
8.6
|
0.6
|
|
CHD
|
A:HDD801
|
3.4
|
9.0
|
0.6
|
|
CHA
|
A:HEM802
|
3.4
|
6.4
|
0.4
|
|
CHD
|
A:HEM802
|
3.4
|
6.7
|
0.4
|
|
CHC
|
A:HDD801
|
3.5
|
8.3
|
0.6
|
|
CHB
|
A:HDD801
|
3.6
|
8.1
|
0.6
|
|
CHC
|
A:HEM802
|
3.6
|
7.3
|
0.4
|
|
CE2
|
A:TYR415
|
3.7
|
8.1
|
1.0
|
|
CHB
|
A:HEM802
|
3.7
|
6.9
|
0.4
|
|
CE1
|
A:TYR415
|
4.0
|
8.0
|
1.0
|
|
NE
|
A:ARG411
|
4.2
|
7.6
|
1.0
|
|
C2A
|
A:HEM802
|
4.2
|
6.5
|
0.4
|
|
C3D
|
A:HEM802
|
4.2
|
6.4
|
0.4
|
|
C3C
|
A:HEM802
|
4.2
|
6.8
|
0.4
|
|
C2D
|
A:HEM802
|
4.3
|
6.4
|
0.4
|
|
C2D
|
A:HDD801
|
4.3
|
10.4
|
0.6
|
|
C3A
|
A:HEM802
|
4.3
|
6.5
|
0.4
|
|
NH2
|
A:ARG411
|
4.3
|
7.6
|
1.0
|
|
C3D
|
A:HDD801
|
4.3
|
10.4
|
0.6
|
|
C2A
|
A:HDD801
|
4.4
|
7.7
|
0.6
|
|
C2C
|
A:HEM802
|
4.4
|
7.1
|
0.4
|
|
C3C
|
A:HDD801
|
4.4
|
8.3
|
0.6
|
|
C3A
|
A:HDD801
|
4.4
|
7.8
|
0.6
|
|
CG2
|
A:VAL127
|
4.4
|
6.9
|
1.0
|
|
C3B
|
A:HDD801
|
4.4
|
7.9
|
0.6
|
|
C2B
|
A:HDD801
|
4.5
|
7.7
|
0.6
|
|
C2C
|
A:HDD801
|
4.5
|
8.2
|
0.6
|
|
O
|
A:HOH1172
|
4.5
|
13.8
|
1.0
|
|
C3B
|
A:HEM802
|
4.6
|
7.7
|
0.4
|
|
CD2
|
A:HIS128
|
4.6
|
6.2
|
1.0
|
|
C2B
|
A:HEM802
|
4.6
|
7.6
|
0.4
|
|
NE2
|
A:HIS128
|
4.6
|
6.7
|
1.0
|
|
CZ
|
A:ARG411
|
4.6
|
8.4
|
1.0
|
|
CZ
|
A:PHE214
|
4.7
|
5.8
|
1.0
|
|
CD2
|
A:TYR415
|
4.9
|
8.2
|
1.0
|
|
Iron binding site 2 out
of 8 in 4env
Go back to
Iron Binding Sites List in 4env
Iron binding site 2 out
of 8 in the Structure of the S234I Variant of E. Coli Kate
 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 S234I Variant of E. Coli Kate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe802
b:6.8
occ:0.40
|
FE
|
A:HEM802
|
0.0
|
6.8
|
0.4
|
|
FE
|
A:HDD801
|
0.3
|
8.7
|
0.6
|
|
NB
|
A:HDD801
|
1.8
|
8.6
|
0.6
|
|
OH
|
A:TYR415
|
1.9
|
7.7
|
1.0
|
|
NA
|
A:HEM802
|
1.9
|
6.7
|
0.4
|
|
NC
|
A:HEM802
|
2.0
|
6.9
|
0.4
|
|
NB
|
A:HEM802
|
2.1
|
7.3
|
0.4
|
|
NA
|
A:HDD801
|
2.1
|
8.2
|
0.6
|
|
NC
|
A:HDD801
|
2.1
|
8.4
|
0.6
|
|
ND
|
A:HEM802
|
2.1
|
6.7
|
0.4
|
|
ND
|
A:HDD801
|
2.2
|
9.2
|
0.6
|
|
O
|
A:HOH1527
|
2.3
|
23.8
|
1.0
|
|
C4B
|
A:HDD801
|
2.9
|
8.0
|
0.6
|
|
C1B
|
A:HDD801
|
2.9
|
7.8
|
0.6
|
|
CZ
|
A:TYR415
|
2.9
|
7.9
|
1.0
|
|
C1C
|
A:HEM802
|
3.0
|
7.0
|
0.4
|
|
C4A
|
A:HEM802
|
3.0
|
6.6
|
0.4
|
|
C1A
|
A:HEM802
|
3.0
|
6.5
|
0.4
|
|
C4C
|
A:HEM802
|
3.1
|
6.8
|
0.4
|
|
C4B
|
A:HEM802
|
3.1
|
7.3
|
0.4
|
|
C4A
|
A:HDD801
|
3.1
|
7.8
|
0.6
|
|
C1B
|
A:HEM802
|
3.1
|
7.2
|
0.4
|
|
C1C
|
A:HDD801
|
3.1
|
8.2
|
0.6
|
|
C4C
|
A:HDD801
|
3.2
|
8.5
|
0.6
|
|
C1A
|
A:HDD801
|
3.2
|
8.1
|
0.6
|
|
C1D
|
A:HDD801
|
3.2
|
9.6
|
0.6
|
|
C1D
|
A:HEM802
|
3.2
|
6.5
|
0.4
|
|
C4D
|
A:HEM802
|
3.2
|
6.3
|
0.4
|
|
C4D
|
A:HDD801
|
3.2
|
9.1
|
0.6
|
|
CHC
|
A:HDD801
|
3.3
|
8.3
|
0.6
|
|
CHB
|
A:HDD801
|
3.4
|
8.1
|
0.6
|
|
CHC
|
A:HEM802
|
3.5
|
7.3
|
0.4
|
|
CHB
|
A:HEM802
|
3.5
|
6.9
|
0.4
|
|
CHD
|
A:HDD801
|
3.5
|
9.0
|
0.6
|
|
CHA
|
A:HDD801
|
3.5
|
8.6
|
0.6
|
|
CHD
|
A:HEM802
|
3.6
|
6.7
|
0.4
|
|
CHA
|
A:HEM802
|
3.6
|
6.4
|
0.4
|
|
CE2
|
A:TYR415
|
3.6
|
8.1
|
1.0
|
|
CE1
|
A:TYR415
|
3.8
|
8.0
|
1.0
|
|
NE
|
A:ARG411
|
3.9
|
7.6
|
1.0
|
|
NH2
|
A:ARG411
|
4.0
|
7.6
|
1.0
|
|
C3B
|
A:HDD801
|
4.2
|
7.9
|
0.6
|
|
C2B
|
A:HDD801
|
4.2
|
7.7
|
0.6
|
|
C3C
|
A:HEM802
|
4.3
|
6.8
|
0.4
|
|
C2A
|
A:HEM802
|
4.3
|
6.5
|
0.4
|
|
C3A
|
A:HEM802
|
4.3
|
6.5
|
0.4
|
|
CZ
|
A:ARG411
|
4.3
|
8.4
|
1.0
|
|
C2C
|
A:HEM802
|
4.3
|
7.1
|
0.4
|
|
C3B
|
A:HEM802
|
4.3
|
7.7
|
0.4
|
|
C3A
|
A:HDD801
|
4.4
|
7.8
|
0.6
|
|
C2B
|
A:HEM802
|
4.4
|
7.6
|
0.4
|
|
C3C
|
A:HDD801
|
4.4
|
8.3
|
0.6
|
|
C2C
|
A:HDD801
|
4.4
|
8.2
|
0.6
|
|
C2A
|
A:HDD801
|
4.4
|
7.7
|
0.6
|
|
C3D
|
A:HEM802
|
4.5
|
6.4
|
0.4
|
|
C2D
|
A:HEM802
|
4.5
|
6.4
|
0.4
|
|
O
|
A:HOH1172
|
4.5
|
13.8
|
1.0
|
|
C2D
|
A:HDD801
|
4.5
|
10.4
|
0.6
|
|
C3D
|
A:HDD801
|
4.6
|
10.4
|
0.6
|
|
CG2
|
A:VAL127
|
4.7
|
6.9
|
1.0
|
|
NE2
|
A:HIS128
|
4.8
|
6.7
|
1.0
|
|
CD2
|
A:HIS128
|
4.8
|
6.2
|
1.0
|
|
CZ
|
A:PHE214
|
4.9
|
5.8
|
1.0
|
|
CD2
|
A:TYR415
|
4.9
|
8.2
|
1.0
|
|
CD
|
A:ARG411
|
4.9
|
7.4
|
1.0
|
|
Iron binding site 3 out
of 8 in 4env
Go back to
Iron Binding Sites List in 4env
Iron binding site 3 out
of 8 in the Structure of the S234I Variant of E. Coli Kate
 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 S234I Variant of E. Coli Kate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe801
b:9.6
occ:0.60
|
FE
|
B:HDD801
|
0.0
|
9.6
|
0.6
|
|
FE
|
B:HEM802
|
0.4
|
7.7
|
0.4
|
|
NA
|
B:HEM802
|
1.8
|
7.5
|
0.4
|
|
ND
|
B:HDD801
|
2.0
|
10.0
|
0.6
|
|
NC
|
B:HEM802
|
2.0
|
7.8
|
0.4
|
|
ND
|
B:HEM802
|
2.1
|
7.3
|
0.4
|
|
NA
|
B:HDD801
|
2.1
|
9.4
|
0.6
|
|
NB
|
B:HDD801
|
2.1
|
9.8
|
0.6
|
|
NB
|
B:HEM802
|
2.1
|
8.2
|
0.4
|
|
O
|
B:HOH1500
|
2.1
|
26.0
|
1.0
|
|
NC
|
B:HDD801
|
2.1
|
9.7
|
0.6
|
|
OH
|
B:TYR415
|
2.2
|
8.2
|
1.0
|
|
C1A
|
B:HEM802
|
2.9
|
7.3
|
0.4
|
|
C4A
|
B:HEM802
|
3.0
|
7.5
|
0.4
|
|
C1D
|
B:HDD801
|
3.0
|
10.3
|
0.6
|
|
C4D
|
B:HDD801
|
3.0
|
10.1
|
0.6
|
|
C4D
|
B:HEM802
|
3.1
|
7.0
|
0.4
|
|
C4A
|
B:HDD801
|
3.1
|
9.2
|
0.6
|
|
C1C
|
B:HEM802
|
3.1
|
7.7
|
0.4
|
|
C4B
|
B:HDD801
|
3.1
|
9.0
|
0.6
|
|
C1B
|
B:HEM802
|
3.1
|
8.1
|
0.4
|
|
C1B
|
B:HDD801
|
3.1
|
9.1
|
0.6
|
|
C1A
|
B:HDD801
|
3.1
|
9.2
|
0.6
|
|
C4C
|
B:HEM802
|
3.1
|
7.5
|
0.4
|
|
C1C
|
B:HDD801
|
3.1
|
9.4
|
0.6
|
|
C1D
|
B:HEM802
|
3.1
|
7.2
|
0.4
|
|
C4C
|
B:HDD801
|
3.1
|
9.7
|
0.6
|
|
CZ
|
B:TYR415
|
3.1
|
8.9
|
1.0
|
|
C4B
|
B:HEM802
|
3.1
|
8.1
|
0.4
|
|
CHA
|
B:HDD801
|
3.4
|
9.9
|
0.6
|
|
CHA
|
B:HEM802
|
3.4
|
7.2
|
0.4
|
|
CHD
|
B:HDD801
|
3.4
|
9.9
|
0.6
|
|
CHB
|
B:HDD801
|
3.4
|
9.2
|
0.6
|
|
CHC
|
B:HDD801
|
3.4
|
9.5
|
0.6
|
|
CHB
|
B:HEM802
|
3.5
|
7.8
|
0.4
|
|
CHD
|
B:HEM802
|
3.5
|
7.3
|
0.4
|
|
CHC
|
B:HEM802
|
3.6
|
8.2
|
0.4
|
|
CE2
|
B:TYR415
|
3.7
|
8.8
|
1.0
|
|
CE1
|
B:TYR415
|
4.1
|
9.4
|
1.0
|
|
C2A
|
B:HEM802
|
4.2
|
7.2
|
0.4
|
|
C3A
|
B:HEM802
|
4.2
|
7.3
|
0.4
|
|
NE
|
B:ARG411
|
4.3
|
7.2
|
1.0
|
|
C3C
|
B:HEM802
|
4.3
|
7.6
|
0.4
|
|
NH2
|
B:ARG411
|
4.3
|
6.9
|
1.0
|
|
C2D
|
B:HDD801
|
4.3
|
10.6
|
0.6
|
|
C2C
|
B:HEM802
|
4.4
|
7.8
|
0.4
|
|
C3B
|
B:HDD801
|
4.4
|
8.8
|
0.6
|
|
C2B
|
B:HEM802
|
4.4
|
8.4
|
0.4
|
|
C3D
|
B:HEM802
|
4.4
|
6.8
|
0.4
|
|
C3A
|
B:HDD801
|
4.4
|
8.8
|
0.6
|
|
C2B
|
B:HDD801
|
4.4
|
8.8
|
0.6
|
|
C2A
|
B:HDD801
|
4.4
|
8.8
|
0.6
|
|
C3D
|
B:HDD801
|
4.4
|
11.2
|
0.6
|
|
C3B
|
B:HEM802
|
4.4
|
8.3
|
0.4
|
|
C3C
|
B:HDD801
|
4.4
|
10.0
|
0.6
|
|
C2D
|
B:HEM802
|
4.4
|
7.0
|
0.4
|
|
O
|
B:HOH1220
|
4.4
|
17.9
|
1.0
|
|
CG2
|
B:VAL127
|
4.5
|
9.3
|
1.0
|
|
C2C
|
B:HDD801
|
4.5
|
9.7
|
0.6
|
|
NE2
|
B:HIS128
|
4.5
|
8.0
|
1.0
|
|
CD2
|
B:HIS128
|
4.5
|
8.0
|
1.0
|
|
CZ
|
B:PHE214
|
4.6
|
8.7
|
1.0
|
|
CZ
|
B:ARG411
|
4.7
|
7.1
|
1.0
|
|
CD2
|
B:TYR415
|
5.0
|
8.5
|
1.0
|
|
Iron binding site 4 out
of 8 in 4env
Go back to
Iron Binding Sites List in 4env
Iron binding site 4 out
of 8 in the Structure of the S234I Variant of E. Coli Kate
 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 S234I Variant of E. Coli Kate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe802
b:7.7
occ:0.40
|
FE
|
B:HEM802
|
0.0
|
7.7
|
0.4
|
|
FE
|
B:HDD801
|
0.4
|
9.6
|
0.6
|
|
OH
|
B:TYR415
|
1.8
|
8.2
|
1.0
|
|
NC
|
B:HEM802
|
1.9
|
7.8
|
0.4
|
|
NA
|
B:HEM802
|
2.0
|
7.5
|
0.4
|
|
NC
|
B:HDD801
|
2.0
|
9.7
|
0.6
|
|
ND
|
B:HDD801
|
2.0
|
10.0
|
0.6
|
|
NB
|
B:HDD801
|
2.1
|
9.8
|
0.6
|
|
NB
|
B:HEM802
|
2.1
|
8.2
|
0.4
|
|
ND
|
B:HEM802
|
2.1
|
7.3
|
0.4
|
|
NA
|
B:HDD801
|
2.2
|
9.4
|
0.6
|
|
O
|
B:HOH1500
|
2.5
|
26.0
|
1.0
|
|
CZ
|
B:TYR415
|
2.8
|
8.9
|
1.0
|
|
C1D
|
B:HDD801
|
3.0
|
10.3
|
0.6
|
|
C1C
|
B:HEM802
|
3.0
|
7.7
|
0.4
|
|
C4C
|
B:HEM802
|
3.0
|
7.5
|
0.4
|
|
C1C
|
B:HDD801
|
3.0
|
9.4
|
0.6
|
|
C4B
|
B:HDD801
|
3.0
|
9.0
|
0.6
|
|
C4C
|
B:HDD801
|
3.0
|
9.7
|
0.6
|
|
C4A
|
B:HEM802
|
3.1
|
7.5
|
0.4
|
|
C1B
|
B:HDD801
|
3.1
|
9.1
|
0.6
|
|
C1A
|
B:HEM802
|
3.1
|
7.3
|
0.4
|
|
C1D
|
B:HEM802
|
3.1
|
7.2
|
0.4
|
|
C1B
|
B:HEM802
|
3.1
|
8.1
|
0.4
|
|
C4B
|
B:HEM802
|
3.1
|
8.1
|
0.4
|
|
C4D
|
B:HDD801
|
3.1
|
10.1
|
0.6
|
|
C4D
|
B:HEM802
|
3.1
|
7.0
|
0.4
|
|
C4A
|
B:HDD801
|
3.2
|
9.2
|
0.6
|
|
C1A
|
B:HDD801
|
3.3
|
9.2
|
0.6
|
|
CHD
|
B:HDD801
|
3.4
|
9.9
|
0.6
|
|
CHC
|
B:HDD801
|
3.4
|
9.5
|
0.6
|
|
CE2
|
B:TYR415
|
3.4
|
8.8
|
1.0
|
|
CHD
|
B:HEM802
|
3.5
|
7.3
|
0.4
|
|
CHB
|
B:HDD801
|
3.5
|
9.2
|
0.6
|
|
CHC
|
B:HEM802
|
3.5
|
8.2
|
0.4
|
|
CHB
|
B:HEM802
|
3.5
|
7.8
|
0.4
|
|
CHA
|
B:HEM802
|
3.6
|
7.2
|
0.4
|
|
CHA
|
B:HDD801
|
3.6
|
9.9
|
0.6
|
|
CE1
|
B:TYR415
|
3.7
|
9.4
|
1.0
|
|
NE
|
B:ARG411
|
4.0
|
7.2
|
1.0
|
|
NH2
|
B:ARG411
|
4.0
|
6.9
|
1.0
|
|
C3C
|
B:HEM802
|
4.2
|
7.6
|
0.4
|
|
C2C
|
B:HEM802
|
4.2
|
7.8
|
0.4
|
|
C3C
|
B:HDD801
|
4.3
|
10.0
|
0.6
|
|
C3B
|
B:HDD801
|
4.3
|
8.8
|
0.6
|
|
C2D
|
B:HDD801
|
4.3
|
10.6
|
0.6
|
|
C2B
|
B:HDD801
|
4.3
|
8.8
|
0.6
|
|
C2C
|
B:HDD801
|
4.3
|
9.7
|
0.6
|
|
C2A
|
B:HEM802
|
4.4
|
7.2
|
0.4
|
|
C3A
|
B:HEM802
|
4.4
|
7.3
|
0.4
|
|
C2B
|
B:HEM802
|
4.4
|
8.4
|
0.4
|
|
C3B
|
B:HEM802
|
4.4
|
8.3
|
0.4
|
|
CZ
|
B:ARG411
|
4.4
|
7.1
|
1.0
|
|
C2D
|
B:HEM802
|
4.4
|
7.0
|
0.4
|
|
C3D
|
B:HDD801
|
4.4
|
11.2
|
0.6
|
|
C3D
|
B:HEM802
|
4.4
|
6.8
|
0.4
|
|
C3A
|
B:HDD801
|
4.5
|
8.8
|
0.6
|
|
C2A
|
B:HDD801
|
4.5
|
8.8
|
0.6
|
|
CD2
|
B:TYR415
|
4.7
|
8.5
|
1.0
|
|
O
|
B:HOH1220
|
4.7
|
17.9
|
1.0
|
|
CG2
|
B:VAL127
|
4.8
|
9.3
|
1.0
|
|
CZ
|
B:PHE214
|
4.8
|
8.7
|
1.0
|
|
NE2
|
B:HIS128
|
4.9
|
8.0
|
1.0
|
|
CD1
|
B:TYR415
|
4.9
|
9.0
|
1.0
|
|
CD2
|
B:HIS128
|
4.9
|
8.0
|
1.0
|
|
OND
|
B:HDD801
|
5.0
|
11.6
|
0.6
|
|
CD
|
B:ARG411
|
5.0
|
7.0
|
1.0
|
|
Iron binding site 5 out
of 8 in 4env
Go back to
Iron Binding Sites List in 4env
Iron binding site 5 out
of 8 in the Structure of the S234I Variant of E. Coli Kate
 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 S234I Variant of E. Coli Kate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe801
b:9.3
occ:0.60
|
FE
|
C:HDD801
|
0.0
|
9.3
|
0.6
|
|
FE
|
C:HEM802
|
0.4
|
7.7
|
0.4
|
|
NA
|
C:HEM802
|
1.8
|
7.6
|
0.4
|
|
NC
|
C:HEM802
|
2.0
|
7.4
|
0.4
|
|
ND
|
C:HDD801
|
2.0
|
9.6
|
0.6
|
|
ND
|
C:HEM802
|
2.0
|
7.4
|
0.4
|
|
NA
|
C:HDD801
|
2.1
|
8.9
|
0.6
|
|
NB
|
C:HDD801
|
2.1
|
9.4
|
0.6
|
|
NC
|
C:HDD801
|
2.1
|
8.9
|
0.6
|
|
NB
|
C:HEM802
|
2.1
|
8.4
|
0.4
|
|
OH
|
C:TYR415
|
2.2
|
8.1
|
1.0
|
|
O
|
C:HOH1517
|
2.4
|
27.8
|
1.0
|
|
C1A
|
C:HEM802
|
2.9
|
7.3
|
0.4
|
|
C4A
|
C:HEM802
|
3.0
|
7.6
|
0.4
|
|
C1D
|
C:HDD801
|
3.0
|
9.9
|
0.6
|
|
C4D
|
C:HDD801
|
3.0
|
9.8
|
0.6
|
|
C4D
|
C:HEM802
|
3.0
|
7.2
|
0.4
|
|
C4C
|
C:HEM802
|
3.0
|
7.2
|
0.4
|
|
C4A
|
C:HDD801
|
3.0
|
8.6
|
0.6
|
|
C1B
|
C:HDD801
|
3.1
|
8.7
|
0.6
|
|
C1A
|
C:HDD801
|
3.1
|
8.6
|
0.6
|
|
C4C
|
C:HDD801
|
3.1
|
8.7
|
0.6
|
|
C4B
|
C:HDD801
|
3.1
|
9.0
|
0.6
|
|
C1D
|
C:HEM802
|
3.1
|
7.3
|
0.4
|
|
C1C
|
C:HEM802
|
3.1
|
7.6
|
0.4
|
|
C1C
|
C:HDD801
|
3.1
|
8.8
|
0.6
|
|
CZ
|
C:TYR415
|
3.2
|
8.3
|
1.0
|
|
C1B
|
C:HEM802
|
3.2
|
8.4
|
0.4
|
|
C4B
|
C:HEM802
|
3.2
|
8.4
|
0.4
|
|
CHA
|
C:HEM802
|
3.4
|
7.3
|
0.4
|
|
CHA
|
C:HDD801
|
3.4
|
9.6
|
0.6
|
|
CHB
|
C:HDD801
|
3.4
|
8.7
|
0.6
|
|
CHD
|
C:HDD801
|
3.4
|
9.2
|
0.6
|
|
CHB
|
C:HEM802
|
3.5
|
7.8
|
0.4
|
|
CHD
|
C:HEM802
|
3.5
|
7.2
|
0.4
|
|
CHC
|
C:HDD801
|
3.5
|
9.1
|
0.6
|
|
CHC
|
C:HEM802
|
3.7
|
8.1
|
0.4
|
|
CE2
|
C:TYR415
|
3.8
|
8.6
|
1.0
|
|
CE1
|
C:TYR415
|
4.1
|
8.3
|
1.0
|
|
C2A
|
C:HEM802
|
4.2
|
7.4
|
0.4
|
|
C3A
|
C:HEM802
|
4.2
|
7.4
|
0.4
|
|
NE
|
C:ARG411
|
4.3
|
7.5
|
1.0
|
|
C3C
|
C:HEM802
|
4.3
|
7.1
|
0.4
|
|
NH2
|
C:ARG411
|
4.3
|
7.4
|
1.0
|
|
O
|
C:HOH1269
|
4.3
|
15.2
|
1.0
|
|
C3D
|
C:HEM802
|
4.4
|
7.0
|
0.4
|
|
C2D
|
C:HDD801
|
4.4
|
10.6
|
0.6
|
|
C2C
|
C:HEM802
|
4.4
|
7.3
|
0.4
|
|
C3B
|
C:HDD801
|
4.4
|
8.5
|
0.6
|
|
C2B
|
C:HDD801
|
4.4
|
8.4
|
0.6
|
|
C3A
|
C:HDD801
|
4.4
|
8.3
|
0.6
|
|
C2A
|
C:HDD801
|
4.4
|
8.6
|
0.6
|
|
C3C
|
C:HDD801
|
4.4
|
8.7
|
0.6
|
|
C3D
|
C:HDD801
|
4.4
|
10.7
|
0.6
|
|
C2D
|
C:HEM802
|
4.4
|
7.3
|
0.4
|
|
C3B
|
C:HEM802
|
4.5
|
8.8
|
0.4
|
|
C2C
|
C:HDD801
|
4.5
|
8.6
|
0.6
|
|
CG2
|
C:VAL127
|
4.5
|
9.5
|
1.0
|
|
C2B
|
C:HEM802
|
4.5
|
8.9
|
0.4
|
|
NE2
|
C:HIS128
|
4.5
|
8.3
|
1.0
|
|
CD2
|
C:HIS128
|
4.5
|
7.8
|
1.0
|
|
CZ
|
C:PHE214
|
4.6
|
7.2
|
1.0
|
|
CZ
|
C:ARG411
|
4.7
|
7.8
|
1.0
|
|
Iron binding site 6 out
of 8 in 4env
Go back to
Iron Binding Sites List in 4env
Iron binding site 6 out
of 8 in the Structure of the S234I Variant of E. Coli Kate
 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 S234I Variant of E. Coli Kate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe802
b:7.7
occ:0.40
|
FE
|
C:HEM802
|
0.0
|
7.7
|
0.4
|
|
FE
|
C:HDD801
|
0.4
|
9.3
|
0.6
|
|
OH
|
C:TYR415
|
1.8
|
8.1
|
1.0
|
|
NC
|
C:HEM802
|
2.0
|
7.4
|
0.4
|
|
NA
|
C:HEM802
|
2.0
|
7.6
|
0.4
|
|
NC
|
C:HDD801
|
2.0
|
8.9
|
0.6
|
|
NB
|
C:HDD801
|
2.1
|
9.4
|
0.6
|
|
ND
|
C:HDD801
|
2.1
|
9.6
|
0.6
|
|
ND
|
C:HEM802
|
2.1
|
7.4
|
0.4
|
|
NB
|
C:HEM802
|
2.1
|
8.4
|
0.4
|
|
NA
|
C:HDD801
|
2.2
|
8.9
|
0.6
|
|
CZ
|
C:TYR415
|
2.8
|
8.3
|
1.0
|
|
O
|
C:HOH1517
|
2.8
|
27.8
|
1.0
|
|
C4C
|
C:HEM802
|
3.0
|
7.2
|
0.4
|
|
C4C
|
C:HDD801
|
3.0
|
8.7
|
0.6
|
|
C1D
|
C:HDD801
|
3.0
|
9.9
|
0.6
|
|
C4B
|
C:HDD801
|
3.0
|
9.0
|
0.6
|
|
C1C
|
C:HEM802
|
3.0
|
7.6
|
0.4
|
|
C1B
|
C:HDD801
|
3.1
|
8.7
|
0.6
|
|
C1C
|
C:HDD801
|
3.1
|
8.8
|
0.6
|
|
C4A
|
C:HEM802
|
3.1
|
7.6
|
0.4
|
|
C1A
|
C:HEM802
|
3.1
|
7.3
|
0.4
|
|
C4D
|
C:HEM802
|
3.1
|
7.2
|
0.4
|
|
C4A
|
C:HDD801
|
3.1
|
8.6
|
0.6
|
|
C4B
|
C:HEM802
|
3.1
|
8.4
|
0.4
|
|
C4D
|
C:HDD801
|
3.1
|
9.8
|
0.6
|
|
C1D
|
C:HEM802
|
3.2
|
7.3
|
0.4
|
|
C1B
|
C:HEM802
|
3.2
|
8.4
|
0.4
|
|
C1A
|
C:HDD801
|
3.3
|
8.6
|
0.6
|
|
CHD
|
C:HDD801
|
3.4
|
9.2
|
0.6
|
|
CHB
|
C:HDD801
|
3.4
|
8.7
|
0.6
|
|
CHC
|
C:HDD801
|
3.4
|
9.1
|
0.6
|
|
CHD
|
C:HEM802
|
3.5
|
7.2
|
0.4
|
|
CHA
|
C:HEM802
|
3.5
|
7.3
|
0.4
|
|
CE2
|
C:TYR415
|
3.5
|
8.6
|
1.0
|
|
CHB
|
C:HEM802
|
3.5
|
7.8
|
0.4
|
|
CHA
|
C:HDD801
|
3.6
|
9.6
|
0.6
|
|
CHC
|
C:HEM802
|
3.6
|
8.1
|
0.4
|
|
CE1
|
C:TYR415
|
3.7
|
8.3
|
1.0
|
|
NE
|
C:ARG411
|
3.9
|
7.5
|
1.0
|
|
NH2
|
C:ARG411
|
3.9
|
7.4
|
1.0
|
|
C3C
|
C:HEM802
|
4.2
|
7.1
|
0.4
|
|
C2C
|
C:HEM802
|
4.2
|
7.3
|
0.4
|
|
C3C
|
C:HDD801
|
4.3
|
8.7
|
0.6
|
|
C3B
|
C:HDD801
|
4.3
|
8.5
|
0.6
|
|
C2B
|
C:HDD801
|
4.3
|
8.4
|
0.6
|
|
C2C
|
C:HDD801
|
4.3
|
8.6
|
0.6
|
|
C3A
|
C:HEM802
|
4.4
|
7.4
|
0.4
|
|
C2A
|
C:HEM802
|
4.4
|
7.4
|
0.4
|
|
CZ
|
C:ARG411
|
4.4
|
7.8
|
1.0
|
|
C2D
|
C:HDD801
|
4.4
|
10.6
|
0.6
|
|
C3B
|
C:HEM802
|
4.4
|
8.8
|
0.4
|
|
C3D
|
C:HEM802
|
4.5
|
7.0
|
0.4
|
|
C3D
|
C:HDD801
|
4.5
|
10.7
|
0.6
|
|
C2D
|
C:HEM802
|
4.5
|
7.3
|
0.4
|
|
C3A
|
C:HDD801
|
4.5
|
8.3
|
0.6
|
|
C2B
|
C:HEM802
|
4.5
|
8.9
|
0.4
|
|
C2A
|
C:HDD801
|
4.5
|
8.6
|
0.6
|
|
O
|
C:HOH1269
|
4.6
|
15.2
|
1.0
|
|
CD2
|
C:TYR415
|
4.8
|
8.9
|
1.0
|
|
CG2
|
C:VAL127
|
4.8
|
9.5
|
1.0
|
|
CZ
|
C:PHE214
|
4.9
|
7.2
|
1.0
|
|
CD1
|
C:TYR415
|
4.9
|
9.1
|
1.0
|
|
CD
|
C:ARG411
|
4.9
|
7.4
|
1.0
|
|
NE2
|
C:HIS128
|
4.9
|
8.3
|
1.0
|
|
CD2
|
C:HIS128
|
4.9
|
7.8
|
1.0
|
|
Iron binding site 7 out
of 8 in 4env
Go back to
Iron Binding Sites List in 4env
Iron binding site 7 out
of 8 in the Structure of the S234I Variant of E. Coli Kate
 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 S234I Variant of E. Coli Kate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe801
b:8.1
occ:0.60
|
FE
|
D:HDD801
|
0.0
|
8.1
|
0.6
|
|
FE
|
D:HEM802
|
0.4
|
6.0
|
0.4
|
|
NA
|
D:HEM802
|
1.8
|
5.9
|
0.4
|
|
NC
|
D:HEM802
|
1.9
|
5.9
|
0.4
|
|
ND
|
D:HDD801
|
2.0
|
8.5
|
0.6
|
|
NB
|
D:HDD801
|
2.0
|
7.4
|
0.6
|
|
NA
|
D:HDD801
|
2.1
|
7.9
|
0.6
|
|
NB
|
D:HEM802
|
2.1
|
6.1
|
0.4
|
|
ND
|
D:HEM802
|
2.1
|
5.8
|
0.4
|
|
NC
|
D:HDD801
|
2.1
|
7.6
|
0.6
|
|
OH
|
D:TYR415
|
2.2
|
6.4
|
1.0
|
|
C1A
|
D:HEM802
|
3.0
|
5.7
|
0.4
|
|
C1C
|
D:HEM802
|
3.0
|
6.0
|
0.4
|
|
C4C
|
D:HEM802
|
3.0
|
5.8
|
0.4
|
|
C4A
|
D:HEM802
|
3.0
|
5.9
|
0.4
|
|
C4B
|
D:HDD801
|
3.0
|
7.4
|
0.6
|
|
C1D
|
D:HDD801
|
3.0
|
9.0
|
0.6
|
|
C4D
|
D:HDD801
|
3.0
|
8.8
|
0.6
|
|
C4A
|
D:HDD801
|
3.1
|
7.4
|
0.6
|
|
C1C
|
D:HDD801
|
3.1
|
7.5
|
0.6
|
|
C1B
|
D:HDD801
|
3.1
|
7.1
|
0.6
|
|
C1A
|
D:HDD801
|
3.1
|
7.4
|
0.6
|
|
C4D
|
D:HEM802
|
3.1
|
5.6
|
0.4
|
|
C4B
|
D:HEM802
|
3.1
|
6.3
|
0.4
|
|
C1D
|
D:HEM802
|
3.1
|
5.8
|
0.4
|
|
C1B
|
D:HEM802
|
3.1
|
6.2
|
0.4
|
|
CZ
|
D:TYR415
|
3.2
|
7.1
|
1.0
|
|
C4C
|
D:HDD801
|
3.2
|
7.5
|
0.6
|
|
CHC
|
D:HDD801
|
3.3
|
7.5
|
0.6
|
|
CHA
|
D:HDD801
|
3.4
|
8.0
|
0.6
|
|
CHB
|
D:HDD801
|
3.5
|
7.1
|
0.6
|
|
CHD
|
D:HDD801
|
3.5
|
8.0
|
0.6
|
|
CHA
|
D:HEM802
|
3.5
|
5.6
|
0.4
|
|
CHC
|
D:HEM802
|
3.5
|
6.2
|
0.4
|
|
CHD
|
D:HEM802
|
3.5
|
5.8
|
0.4
|
|
CHB
|
D:HEM802
|
3.5
|
5.9
|
0.4
|
|
CE2
|
D:TYR415
|
3.8
|
7.3
|
1.0
|
|
CE1
|
D:TYR415
|
4.1
|
7.2
|
1.0
|
|
NE
|
D:ARG411
|
4.2
|
6.9
|
1.0
|
|
C3C
|
D:HEM802
|
4.2
|
6.0
|
0.4
|
|
C2A
|
D:HEM802
|
4.2
|
5.8
|
0.4
|
|
C3A
|
D:HEM802
|
4.3
|
5.7
|
0.4
|
|
C2C
|
D:HEM802
|
4.3
|
6.2
|
0.4
|
|
NH2
|
D:ARG411
|
4.3
|
6.6
|
1.0
|
|
C3B
|
D:HDD801
|
4.3
|
7.1
|
0.6
|
|
C2D
|
D:HDD801
|
4.3
|
9.7
|
0.6
|
|
C3A
|
D:HDD801
|
4.4
|
7.0
|
0.6
|
|
C2A
|
D:HDD801
|
4.4
|
7.5
|
0.6
|
|
C2B
|
D:HDD801
|
4.4
|
6.9
|
0.6
|
|
C3D
|
D:HDD801
|
4.4
|
9.9
|
0.6
|
|
C3D
|
D:HEM802
|
4.4
|
5.5
|
0.4
|
|
C3B
|
D:HEM802
|
4.4
|
6.6
|
0.4
|
|
C2B
|
D:HEM802
|
4.4
|
6.4
|
0.4
|
|
O
|
D:HOH1045
|
4.4
|
13.3
|
1.0
|
|
C2D
|
D:HEM802
|
4.4
|
5.6
|
0.4
|
|
C2C
|
D:HDD801
|
4.5
|
7.6
|
0.6
|
|
C3C
|
D:HDD801
|
4.5
|
7.5
|
0.6
|
|
CG2
|
D:VAL127
|
4.5
|
6.6
|
1.0
|
|
CZ
|
D:PHE214
|
4.5
|
6.7
|
1.0
|
|
NE2
|
D:HIS128
|
4.6
|
7.3
|
1.0
|
|
CZ
|
D:ARG411
|
4.6
|
7.4
|
1.0
|
|
CD2
|
D:HIS128
|
4.6
|
6.7
|
1.0
|
|
Iron binding site 8 out
of 8 in 4env
Go back to
Iron Binding Sites List in 4env
Iron binding site 8 out
of 8 in the Structure of the S234I Variant of E. Coli Kate
 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 S234I Variant of E. Coli Kate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe802
b:6.0
occ:0.40
|
FE
|
D:HEM802
|
0.0
|
6.0
|
0.4
|
|
FE
|
D:HDD801
|
0.4
|
8.1
|
0.6
|
|
OH
|
D:TYR415
|
1.8
|
6.4
|
1.0
|
|
NC
|
D:HEM802
|
1.9
|
5.9
|
0.4
|
|
NA
|
D:HEM802
|
2.0
|
5.9
|
0.4
|
|
ND
|
D:HDD801
|
2.0
|
8.5
|
0.6
|
|
NB
|
D:HDD801
|
2.1
|
7.4
|
0.6
|
|
NB
|
D:HEM802
|
2.1
|
6.1
|
0.4
|
|
ND
|
D:HEM802
|
2.1
|
5.8
|
0.4
|
|
NC
|
D:HDD801
|
2.1
|
7.6
|
0.6
|
|
NA
|
D:HDD801
|
2.1
|
7.9
|
0.6
|
|
CZ
|
D:TYR415
|
2.8
|
7.1
|
1.0
|
|
C1C
|
D:HEM802
|
3.0
|
6.0
|
0.4
|
|
C4C
|
D:HEM802
|
3.0
|
5.8
|
0.4
|
|
C1D
|
D:HDD801
|
3.0
|
9.0
|
0.6
|
|
C4B
|
D:HDD801
|
3.0
|
7.4
|
0.6
|
|
C1A
|
D:HEM802
|
3.0
|
5.7
|
0.4
|
|
C4A
|
D:HEM802
|
3.1
|
5.9
|
0.4
|
|
C4D
|
D:HDD801
|
3.1
|
8.8
|
0.6
|
|
C1B
|
D:HDD801
|
3.1
|
7.1
|
0.6
|
|
C1C
|
D:HDD801
|
3.1
|
7.5
|
0.6
|
|
C4A
|
D:HDD801
|
3.1
|
7.4
|
0.6
|
|
C1D
|
D:HEM802
|
3.1
|
5.8
|
0.4
|
|
C4D
|
D:HEM802
|
3.1
|
5.6
|
0.4
|
|
C4B
|
D:HEM802
|
3.1
|
6.3
|
0.4
|
|
C1B
|
D:HEM802
|
3.2
|
6.2
|
0.4
|
|
C1A
|
D:HDD801
|
3.2
|
7.4
|
0.6
|
|
C4C
|
D:HDD801
|
3.2
|
7.5
|
0.6
|
|
CHC
|
D:HDD801
|
3.4
|
7.5
|
0.6
|
|
CHB
|
D:HDD801
|
3.4
|
7.1
|
0.6
|
|
CHD
|
D:HDD801
|
3.5
|
8.0
|
0.6
|
|
CE2
|
D:TYR415
|
3.5
|
7.3
|
1.0
|
|
CHA
|
D:HDD801
|
3.5
|
8.0
|
0.6
|
|
CHD
|
D:HEM802
|
3.5
|
5.8
|
0.4
|
|
CHA
|
D:HEM802
|
3.5
|
5.6
|
0.4
|
|
CHC
|
D:HEM802
|
3.5
|
6.2
|
0.4
|
|
CHB
|
D:HEM802
|
3.6
|
5.9
|
0.4
|
|
CE1
|
D:TYR415
|
3.7
|
7.2
|
1.0
|
|
NE
|
D:ARG411
|
3.9
|
6.9
|
1.0
|
|
NH2
|
D:ARG411
|
4.0
|
6.6
|
1.0
|
|
C3C
|
D:HEM802
|
4.2
|
6.0
|
0.4
|
|
C2C
|
D:HEM802
|
4.3
|
6.2
|
0.4
|
|
C2A
|
D:HEM802
|
4.3
|
5.8
|
0.4
|
|
C3B
|
D:HDD801
|
4.3
|
7.1
|
0.6
|
|
C3A
|
D:HEM802
|
4.3
|
5.7
|
0.4
|
|
CZ
|
D:ARG411
|
4.3
|
7.4
|
1.0
|
|
C2D
|
D:HDD801
|
4.3
|
9.7
|
0.6
|
|
C2B
|
D:HDD801
|
4.4
|
6.9
|
0.6
|
|
C3A
|
D:HDD801
|
4.4
|
7.0
|
0.6
|
|
C3D
|
D:HDD801
|
4.4
|
9.9
|
0.6
|
|
C2A
|
D:HDD801
|
4.4
|
7.5
|
0.6
|
|
C3B
|
D:HEM802
|
4.4
|
6.6
|
0.4
|
|
C2B
|
D:HEM802
|
4.4
|
6.4
|
0.4
|
|
C3D
|
D:HEM802
|
4.4
|
5.5
|
0.4
|
|
C3C
|
D:HDD801
|
4.4
|
7.5
|
0.6
|
|
C2C
|
D:HDD801
|
4.5
|
7.6
|
0.6
|
|
C2D
|
D:HEM802
|
4.5
|
5.6
|
0.4
|
|
O
|
D:HOH1045
|
4.7
|
13.3
|
1.0
|
|
CD2
|
D:TYR415
|
4.8
|
7.4
|
1.0
|
|
CZ
|
D:PHE214
|
4.8
|
6.7
|
1.0
|
|
CG2
|
D:VAL127
|
4.8
|
6.6
|
1.0
|
|
NE2
|
D:HIS128
|
4.9
|
7.3
|
1.0
|
|
CD
|
D:ARG411
|
4.9
|
7.0
|
1.0
|
|
CD1
|
D:TYR415
|
4.9
|
7.4
|
1.0
|
|
CD2
|
D:HIS128
|
5.0
|
6.7
|
1.0
|
|
Reference:
V.Jha,
P.Chelikani,
X.Carpena,
I.Fita,
P.C.Loewen.
Influence of Main Channel Structure on H(2)O(2) Access to the Heme Cavity of Catalase Kate of Escherichia Coli. Arch.Biochem.Biophys. V. 526 54 2012.
ISSN: ISSN 0003-9861
PubMed: 22820098
DOI: 10.1016/J.ABB.2012.06.010
Page generated: Mon Aug 5 01:44:51 2024
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