Iron in PDB 6lvv: N, N-Dimethylformamidase
Enzymatic activity of N, N-Dimethylformamidase
All present enzymatic activity of N, N-Dimethylformamidase:
3.5.1.56;
Protein crystallography data
The structure of N, N-Dimethylformamidase, PDB code: 6lvv
was solved by
C.K.Arya,
S.Ramaswamy,
R.V.Kutti,
R.Gurunath,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.47 /
2.80
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
160.514,
142.553,
181.488,
90.00,
92.92,
90.00
|
R / Rfree (%)
|
22.7 /
26.7
|
Iron Binding Sites:
The binding sites of Iron atom in the N, N-Dimethylformamidase
(pdb code 6lvv). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
N, N-Dimethylformamidase, PDB code: 6lvv:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 6lvv
Go back to
Iron Binding Sites List in 6lvv
Iron binding site 1 out
of 8 in the N, N-Dimethylformamidase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of N, N-Dimethylformamidase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:24.6
occ:1.00
|
OH
|
A:TYR440
|
1.9
|
12.1
|
1.0
|
OH
|
A:TYR399
|
2.0
|
13.5
|
1.0
|
OE1
|
A:GLU521
|
2.2
|
22.5
|
1.0
|
OE2
|
A:GLU521
|
2.2
|
27.7
|
1.0
|
O
|
A:HOH917
|
2.3
|
5.9
|
1.0
|
CD
|
A:GLU521
|
2.5
|
28.6
|
1.0
|
CZ
|
A:TYR440
|
3.0
|
15.3
|
1.0
|
CZ
|
A:TYR399
|
3.2
|
18.4
|
1.0
|
CE2
|
A:TYR440
|
3.4
|
14.3
|
1.0
|
ND2
|
A:ASN547
|
3.5
|
24.5
|
1.0
|
CG
|
A:GLU521
|
4.0
|
12.1
|
1.0
|
CE1
|
A:TYR399
|
4.0
|
15.7
|
1.0
|
CE2
|
A:TYR399
|
4.1
|
16.0
|
1.0
|
NE2
|
A:HIS519
|
4.1
|
26.6
|
1.0
|
CE1
|
A:TYR440
|
4.1
|
16.6
|
1.0
|
OE2
|
A:GLU657
|
4.3
|
32.0
|
1.0
|
CE1
|
A:HIS519
|
4.5
|
19.9
|
1.0
|
OH
|
A:TYR522
|
4.5
|
13.6
|
1.0
|
CD2
|
A:TYR440
|
4.7
|
12.4
|
1.0
|
CE1
|
A:TYR522
|
4.8
|
14.9
|
1.0
|
CG
|
A:ASN547
|
4.8
|
25.5
|
1.0
|
CB
|
A:GLU521
|
4.9
|
19.4
|
1.0
|
|
Iron binding site 2 out
of 8 in 6lvv
Go back to
Iron Binding Sites List in 6lvv
Iron binding site 2 out
of 8 in the N, N-Dimethylformamidase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of N, N-Dimethylformamidase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe801
b:17.3
occ:1.00
|
OH
|
C:TYR440
|
2.0
|
17.6
|
1.0
|
OH
|
C:TYR399
|
2.1
|
22.0
|
1.0
|
OE1
|
C:GLU521
|
2.1
|
17.4
|
1.0
|
OE2
|
C:GLU521
|
2.2
|
24.4
|
1.0
|
O
|
C:HOH917
|
2.3
|
9.1
|
1.0
|
CD
|
C:GLU521
|
2.5
|
22.8
|
1.0
|
CZ
|
C:TYR440
|
3.1
|
20.8
|
1.0
|
CZ
|
C:TYR399
|
3.3
|
23.5
|
1.0
|
CE2
|
C:TYR440
|
3.5
|
19.9
|
1.0
|
ND2
|
C:ASN547
|
3.6
|
27.0
|
1.0
|
CG
|
C:GLU521
|
4.0
|
16.8
|
1.0
|
CE2
|
C:TYR399
|
4.0
|
25.3
|
1.0
|
NE2
|
C:HIS519
|
4.0
|
27.2
|
1.0
|
CE1
|
C:TYR399
|
4.1
|
18.4
|
1.0
|
OH
|
C:TYR522
|
4.2
|
16.2
|
1.0
|
CE1
|
C:TYR440
|
4.2
|
20.7
|
1.0
|
OE2
|
C:GLU657
|
4.2
|
34.3
|
1.0
|
CE1
|
C:HIS519
|
4.4
|
25.0
|
1.0
|
CE1
|
C:TYR522
|
4.6
|
18.4
|
1.0
|
CB
|
C:GLU521
|
4.8
|
17.2
|
1.0
|
CD2
|
C:TYR440
|
4.8
|
20.6
|
1.0
|
CG
|
C:ASN547
|
4.9
|
28.6
|
1.0
|
CZ
|
C:TYR522
|
4.9
|
16.2
|
1.0
|
|
Iron binding site 3 out
of 8 in 6lvv
Go back to
Iron Binding Sites List in 6lvv
Iron binding site 3 out
of 8 in the N, N-Dimethylformamidase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of N, N-Dimethylformamidase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe801
b:17.1
occ:1.00
|
OH
|
E:TYR440
|
1.9
|
15.1
|
1.0
|
OH
|
E:TYR399
|
2.1
|
20.0
|
1.0
|
OE1
|
E:GLU521
|
2.1
|
13.4
|
1.0
|
OE2
|
E:GLU521
|
2.2
|
21.0
|
1.0
|
O
|
E:HOH919
|
2.4
|
5.9
|
1.0
|
CD
|
E:GLU521
|
2.5
|
22.4
|
1.0
|
CZ
|
E:TYR440
|
3.0
|
21.9
|
1.0
|
CZ
|
E:TYR399
|
3.2
|
20.5
|
1.0
|
CE2
|
E:TYR440
|
3.5
|
24.1
|
1.0
|
ND2
|
E:ASN547
|
3.6
|
21.9
|
1.0
|
CG
|
E:GLU521
|
4.0
|
17.7
|
1.0
|
CE2
|
E:TYR399
|
4.0
|
19.1
|
1.0
|
NE2
|
E:HIS519
|
4.0
|
21.8
|
1.0
|
CE1
|
E:TYR399
|
4.1
|
14.0
|
1.0
|
OH
|
E:TYR522
|
4.2
|
16.3
|
1.0
|
CE1
|
E:TYR440
|
4.2
|
23.2
|
1.0
|
OE2
|
E:GLU657
|
4.2
|
31.5
|
1.0
|
CE1
|
E:HIS519
|
4.4
|
21.8
|
1.0
|
CE1
|
E:TYR522
|
4.6
|
18.4
|
1.0
|
CB
|
E:GLU521
|
4.8
|
13.0
|
1.0
|
CD2
|
E:TYR440
|
4.8
|
21.9
|
1.0
|
CZ
|
E:TYR522
|
4.8
|
20.3
|
1.0
|
CG
|
E:ASN547
|
4.9
|
26.3
|
1.0
|
|
Iron binding site 4 out
of 8 in 6lvv
Go back to
Iron Binding Sites List in 6lvv
Iron binding site 4 out
of 8 in the N, N-Dimethylformamidase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of N, N-Dimethylformamidase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe801
b:23.1
occ:1.00
|
OH
|
G:TYR440
|
2.0
|
17.2
|
1.0
|
OH
|
G:TYR399
|
2.0
|
22.0
|
1.0
|
OE1
|
G:GLU521
|
2.1
|
27.6
|
1.0
|
OE2
|
G:GLU521
|
2.2
|
30.3
|
1.0
|
CD
|
G:GLU521
|
2.4
|
28.8
|
1.0
|
O
|
G:HOH912
|
2.5
|
5.9
|
1.0
|
CZ
|
G:TYR440
|
3.1
|
17.3
|
1.0
|
CZ
|
G:TYR399
|
3.3
|
21.7
|
1.0
|
ND2
|
G:ASN547
|
3.3
|
30.1
|
1.0
|
CE2
|
G:TYR440
|
3.5
|
17.3
|
1.0
|
CG
|
G:GLU521
|
3.8
|
22.5
|
1.0
|
NE2
|
G:HIS519
|
4.0
|
29.2
|
1.0
|
CE2
|
G:TYR399
|
4.1
|
20.1
|
1.0
|
CE1
|
G:TYR399
|
4.1
|
20.3
|
1.0
|
OE2
|
G:GLU657
|
4.2
|
31.7
|
1.0
|
CE1
|
G:TYR440
|
4.3
|
19.4
|
1.0
|
CE1
|
G:HIS519
|
4.4
|
22.9
|
1.0
|
OH
|
G:TYR522
|
4.6
|
16.1
|
1.0
|
CG
|
G:ASN547
|
4.6
|
26.9
|
1.0
|
CB
|
G:GLU521
|
4.7
|
23.6
|
1.0
|
CE1
|
G:TYR522
|
4.8
|
16.8
|
1.0
|
CD2
|
G:TYR440
|
4.9
|
17.4
|
1.0
|
|
Iron binding site 5 out
of 8 in 6lvv
Go back to
Iron Binding Sites List in 6lvv
Iron binding site 5 out
of 8 in the N, N-Dimethylformamidase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of N, N-Dimethylformamidase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe801
b:21.3
occ:1.00
|
OH
|
I:TYR399
|
2.0
|
19.1
|
1.0
|
OH
|
I:TYR440
|
2.0
|
13.9
|
1.0
|
OE1
|
I:GLU521
|
2.1
|
18.1
|
1.0
|
OE2
|
I:GLU521
|
2.2
|
27.6
|
1.0
|
CD
|
I:GLU521
|
2.4
|
25.3
|
1.0
|
O
|
I:HOH913
|
2.4
|
5.9
|
1.0
|
CZ
|
I:TYR440
|
3.1
|
14.6
|
1.0
|
CZ
|
I:TYR399
|
3.2
|
21.6
|
1.0
|
ND2
|
I:ASN547
|
3.4
|
28.6
|
1.0
|
CE2
|
I:TYR440
|
3.5
|
14.9
|
1.0
|
CG
|
I:GLU521
|
3.9
|
16.4
|
1.0
|
NE2
|
I:HIS519
|
4.0
|
26.3
|
1.0
|
CE2
|
I:TYR399
|
4.1
|
16.9
|
1.0
|
CE1
|
I:TYR399
|
4.1
|
16.4
|
1.0
|
OE2
|
I:GLU657
|
4.2
|
34.5
|
1.0
|
CE1
|
I:TYR440
|
4.2
|
15.0
|
1.0
|
CE1
|
I:HIS519
|
4.4
|
19.0
|
1.0
|
OH
|
I:TYR522
|
4.6
|
13.3
|
1.0
|
CG
|
I:ASN547
|
4.7
|
25.8
|
1.0
|
CB
|
I:GLU521
|
4.8
|
19.4
|
1.0
|
CE1
|
I:TYR522
|
4.8
|
16.4
|
1.0
|
CD2
|
I:TYR440
|
4.8
|
14.6
|
1.0
|
|
Iron binding site 6 out
of 8 in 6lvv
Go back to
Iron Binding Sites List in 6lvv
Iron binding site 6 out
of 8 in the N, N-Dimethylformamidase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of N, N-Dimethylformamidase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Fe801
b:17.5
occ:1.00
|
OH
|
K:TYR440
|
1.9
|
23.3
|
1.0
|
OH
|
K:TYR399
|
2.1
|
23.4
|
1.0
|
OE2
|
K:GLU521
|
2.2
|
25.8
|
1.0
|
OE1
|
K:GLU521
|
2.2
|
13.8
|
1.0
|
O
|
K:HOH915
|
2.3
|
5.9
|
1.0
|
CD
|
K:GLU521
|
2.5
|
18.2
|
1.0
|
CZ
|
K:TYR440
|
3.0
|
27.1
|
1.0
|
CZ
|
K:TYR399
|
3.3
|
20.0
|
1.0
|
CE2
|
K:TYR440
|
3.4
|
26.9
|
1.0
|
ND2
|
K:ASN547
|
3.6
|
26.6
|
1.0
|
CG
|
K:GLU521
|
4.0
|
13.4
|
1.0
|
CE2
|
K:TYR399
|
4.0
|
24.5
|
1.0
|
NE2
|
K:HIS519
|
4.1
|
22.2
|
1.0
|
CE1
|
K:TYR399
|
4.1
|
14.5
|
1.0
|
CE1
|
K:TYR440
|
4.2
|
23.5
|
1.0
|
OH
|
K:TYR522
|
4.2
|
13.1
|
1.0
|
OE2
|
K:GLU657
|
4.2
|
35.1
|
1.0
|
CE1
|
K:HIS519
|
4.4
|
21.6
|
1.0
|
CE1
|
K:TYR522
|
4.7
|
18.7
|
1.0
|
CD2
|
K:TYR440
|
4.8
|
25.4
|
1.0
|
CB
|
K:GLU521
|
4.8
|
13.7
|
1.0
|
CZ
|
K:TYR522
|
4.9
|
14.4
|
1.0
|
CG
|
K:ASN547
|
4.9
|
26.0
|
1.0
|
|
Iron binding site 7 out
of 8 in 6lvv
Go back to
Iron Binding Sites List in 6lvv
Iron binding site 7 out
of 8 in the N, N-Dimethylformamidase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of N, N-Dimethylformamidase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Fe801
b:20.1
occ:1.00
|
OH
|
M:TYR440
|
1.9
|
15.6
|
1.0
|
OH
|
M:TYR399
|
2.1
|
23.8
|
1.0
|
OE2
|
M:GLU521
|
2.2
|
21.4
|
1.0
|
OE1
|
M:GLU521
|
2.2
|
15.7
|
1.0
|
O
|
M:HOH909
|
2.4
|
10.7
|
1.0
|
CD
|
M:GLU521
|
2.5
|
18.6
|
1.0
|
CZ
|
M:TYR440
|
3.0
|
20.4
|
1.0
|
CZ
|
M:TYR399
|
3.3
|
24.3
|
1.0
|
CE2
|
M:TYR440
|
3.4
|
20.2
|
1.0
|
ND2
|
M:ASN547
|
3.6
|
20.3
|
1.0
|
CG
|
M:GLU521
|
4.0
|
15.5
|
1.0
|
CE2
|
M:TYR399
|
4.0
|
27.4
|
1.0
|
NE2
|
M:HIS519
|
4.1
|
25.5
|
1.0
|
CE1
|
M:TYR399
|
4.1
|
15.9
|
1.0
|
OH
|
M:TYR522
|
4.2
|
14.7
|
1.0
|
CE1
|
M:TYR440
|
4.2
|
23.9
|
1.0
|
OE2
|
M:GLU657
|
4.3
|
35.3
|
1.0
|
CE1
|
M:HIS519
|
4.5
|
26.1
|
1.0
|
CE1
|
M:TYR522
|
4.6
|
22.8
|
1.0
|
CD2
|
M:TYR440
|
4.8
|
17.4
|
1.0
|
CB
|
M:GLU521
|
4.8
|
15.7
|
1.0
|
CZ
|
M:TYR522
|
4.8
|
18.6
|
1.0
|
CG
|
M:ASN547
|
4.9
|
27.0
|
1.0
|
|
Iron binding site 8 out
of 8 in 6lvv
Go back to
Iron Binding Sites List in 6lvv
Iron binding site 8 out
of 8 in the N, N-Dimethylformamidase
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of N, N-Dimethylformamidase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
O:Fe801
b:23.4
occ:1.00
|
OH
|
O:TYR399
|
2.0
|
18.8
|
1.0
|
OH
|
O:TYR440
|
2.0
|
14.4
|
1.0
|
OE1
|
O:GLU521
|
2.1
|
17.5
|
1.0
|
OE2
|
O:GLU521
|
2.2
|
33.1
|
1.0
|
O
|
O:HOH913
|
2.3
|
5.9
|
1.0
|
CD
|
O:GLU521
|
2.4
|
21.4
|
1.0
|
CZ
|
O:TYR440
|
3.1
|
14.5
|
1.0
|
CZ
|
O:TYR399
|
3.3
|
21.2
|
1.0
|
ND2
|
O:ASN547
|
3.3
|
25.9
|
1.0
|
CE2
|
O:TYR440
|
3.5
|
14.8
|
1.0
|
CG
|
O:GLU521
|
3.9
|
15.6
|
1.0
|
NE2
|
O:HIS519
|
4.0
|
29.5
|
1.0
|
CE2
|
O:TYR399
|
4.1
|
18.9
|
1.0
|
CE1
|
O:TYR399
|
4.1
|
14.9
|
1.0
|
OE2
|
O:GLU657
|
4.2
|
31.1
|
1.0
|
CE1
|
O:TYR440
|
4.3
|
19.0
|
1.0
|
CE1
|
O:HIS519
|
4.4
|
19.6
|
1.0
|
OH
|
O:TYR522
|
4.6
|
13.8
|
1.0
|
CG
|
O:ASN547
|
4.6
|
24.4
|
1.0
|
CB
|
O:GLU521
|
4.8
|
21.5
|
1.0
|
CE1
|
O:TYR522
|
4.8
|
15.3
|
1.0
|
CD2
|
O:TYR440
|
4.9
|
15.0
|
1.0
|
|
Reference:
C.K.Arya,
S.Yadav,
J.Fine,
A.Casanal,
G.Chopra,
G.Ramanathan,
K.R.Vinothkumar,
R.Subramanian.
A 2-Tyr-1-Carboxylate Mononuclear Iron Center Forms the Active Site of A Paracoccus Dimethylformamidase. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 32452120
DOI: 10.1002/ANIE.202005332
Page generated: Wed Aug 7 01:43:12 2024
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