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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

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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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