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Iron in PDB 4r85: Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine

Enzymatic activity of Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine

All present enzymatic activity of Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine:
3.5.4.1;

Protein crystallography data

The structure of Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine, PDB code: 4r85 was solved by A.A.Fedorov, E.V.Fedorov, D.S.Hitchcock, F.M.Raushel, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.17 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 111.481, 137.669, 112.093, 90.00, 118.03, 90.00
R / Rfree (%) 15.9 / 18.7

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine (pdb code 4r85). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine, PDB code: 4r85:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 4r85

Go back to Iron Binding Sites List in 4r85
Iron binding site 1 out of 6 in the Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine


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 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:19.4
occ:1.00
NE2 A:HIS56 2.3 16.9 1.0
OD2 A:ASP308 2.3 17.3 1.0
NE2 A:HIS58 2.3 18.7 1.0
NE2 A:HIS209 2.4 13.7 1.0
NE2 A:HIS241 2.5 15.8 1.0
CD2 A:HIS56 3.2 14.6 1.0
CE1 A:HIS56 3.2 18.1 1.0
CE1 A:HIS209 3.2 12.2 1.0
CD2 A:HIS58 3.3 13.3 1.0
CD2 A:HIS209 3.3 10.5 1.0
CG A:ASP308 3.3 19.5 1.0
CE1 A:HIS58 3.3 13.2 1.0
CD2 A:HIS241 3.4 18.6 1.0
N4 A:17E501 3.5 20.7 1.0
CE1 A:HIS241 3.5 14.0 1.0
OD1 A:ASP308 3.6 19.7 1.0
C4 A:17E501 3.6 19.5 1.0
C5 A:17E501 4.0 13.5 1.0
N3 A:17E501 4.1 15.0 1.0
CM5 A:17E501 4.2 14.0 1.0
ND1 A:HIS56 4.3 12.4 1.0
CG A:HIS56 4.3 12.2 1.0
ND1 A:HIS209 4.3 13.6 1.0
CG A:HIS209 4.4 11.0 1.0
ND1 A:HIS58 4.4 14.7 1.0
CG A:HIS58 4.4 17.1 1.0
CG A:HIS241 4.6 18.1 1.0
CB A:ASP308 4.6 19.9 1.0
ND1 A:HIS241 4.6 20.9 1.0
C6 A:17E501 4.7 14.8 1.0
C2 A:17E501 4.9 13.7 1.0
OE2 A:GLU212 5.0 17.6 1.0
CA A:ASP308 5.0 13.7 1.0

Iron binding site 2 out of 6 in 4r85

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Iron binding site 2 out of 6 in the Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine


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 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe502

b:17.4
occ:1.00
NE2 B:HIS56 2.3 14.7 1.0
NE2 B:HIS58 2.3 13.1 1.0
OD2 B:ASP308 2.3 17.0 1.0
NE2 B:HIS209 2.4 13.0 1.0
NE2 B:HIS241 2.5 15.7 1.0
CD2 B:HIS56 3.1 13.7 1.0
CD2 B:HIS58 3.2 14.1 1.0
CE1 B:HIS56 3.3 14.7 1.0
CG B:ASP308 3.3 18.5 1.0
CD2 B:HIS209 3.3 12.9 1.0
CE1 B:HIS209 3.3 13.2 1.0
CE1 B:HIS58 3.3 12.0 1.0
CD2 B:HIS241 3.4 18.9 1.0
CE1 B:HIS241 3.5 22.1 1.0
N4 B:17E501 3.6 17.1 1.0
OD1 B:ASP308 3.6 22.8 1.0
C4 B:17E501 3.6 15.2 1.0
C5 B:17E501 3.9 13.2 1.0
N3 B:17E501 4.1 13.2 1.0
CM5 B:17E501 4.2 14.2 1.0
CG B:HIS56 4.3 10.3 1.0
ND1 B:HIS56 4.3 18.4 1.0
ND1 B:HIS209 4.3 12.1 1.0
CG B:HIS209 4.4 11.0 1.0
CG B:HIS58 4.4 14.9 1.0
ND1 B:HIS58 4.4 12.5 1.0
CB B:ASP308 4.6 11.6 1.0
ND1 B:HIS241 4.6 16.5 1.0
CG B:HIS241 4.6 14.3 1.0
C6 B:17E501 4.7 15.4 1.0
C2 B:17E501 4.8 14.3 1.0
CA B:ASP308 5.0 12.1 1.0

Iron binding site 3 out of 6 in 4r85

Go back to Iron Binding Sites List in 4r85
Iron binding site 3 out of 6 in the Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine


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 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe502

b:18.1
occ:1.00
NE2 C:HIS56 2.3 12.6 1.0
NE2 C:HIS58 2.3 16.0 1.0
OD2 C:ASP308 2.3 10.5 1.0
NE2 C:HIS209 2.4 17.2 1.0
NE2 C:HIS241 2.6 19.1 1.0
CD2 C:HIS56 3.1 13.3 1.0
CD2 C:HIS58 3.2 13.2 1.0
CD2 C:HIS209 3.2 14.8 1.0
CG C:ASP308 3.3 19.7 1.0
CE1 C:HIS56 3.3 19.6 1.0
CE1 C:HIS209 3.3 12.3 1.0
CE1 C:HIS58 3.4 14.5 1.0
CD2 C:HIS241 3.4 16.7 1.0
N4 C:17E501 3.6 19.9 1.0
OD1 C:ASP308 3.6 19.6 1.0
C4 C:17E501 3.6 18.4 1.0
CE1 C:HIS241 3.7 21.3 1.0
C5 C:17E501 4.0 14.2 1.0
N3 C:17E501 4.1 19.0 1.0
CM5 C:17E501 4.2 16.5 1.0
CG C:HIS56 4.3 11.0 1.0
ND1 C:HIS56 4.3 13.5 1.0
CG C:HIS209 4.4 14.3 1.0
ND1 C:HIS209 4.4 11.2 1.0
CG C:HIS58 4.4 17.6 1.0
ND1 C:HIS58 4.5 15.0 1.0
CB C:ASP308 4.6 12.7 1.0
CG C:HIS241 4.6 14.3 1.0
C6 C:17E501 4.7 16.8 1.0
ND1 C:HIS241 4.7 23.2 1.0
C2 C:17E501 4.8 15.2 1.0
CA C:ASP308 5.0 14.1 1.0

Iron binding site 4 out of 6 in 4r85

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Iron binding site 4 out of 6 in the Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine


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 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe502

b:19.2
occ:1.00
NE2 D:HIS56 2.3 17.8 1.0
NE2 D:HIS58 2.3 17.6 1.0
OD2 D:ASP308 2.4 16.8 1.0
NE2 D:HIS209 2.4 15.3 1.0
NE2 D:HIS241 2.5 19.5 1.0
CE1 D:HIS56 3.2 13.4 1.0
CD2 D:HIS56 3.2 16.2 1.0
CD2 D:HIS209 3.2 10.1 1.0
CD2 D:HIS58 3.2 13.1 1.0
CG D:ASP308 3.3 17.3 1.0
CD2 D:HIS241 3.3 16.0 1.0
CE1 D:HIS209 3.3 13.4 1.0
CE1 D:HIS58 3.4 16.4 1.0
N4 D:17E501 3.5 19.2 1.0
OD1 D:ASP308 3.5 19.4 1.0
C4 D:17E501 3.6 19.1 1.0
CE1 D:HIS241 3.6 22.4 1.0
C5 D:17E501 4.0 14.7 1.0
N3 D:17E501 4.1 13.6 1.0
CM5 D:17E501 4.2 15.4 1.0
ND1 D:HIS56 4.2 12.8 1.0
CG D:HIS56 4.3 11.2 1.0
CG D:HIS209 4.3 11.6 1.0
ND1 D:HIS209 4.3 12.0 1.0
CG D:HIS58 4.4 17.9 1.0
ND1 D:HIS58 4.5 17.3 1.0
CG D:HIS241 4.5 18.7 1.0
CB D:ASP308 4.6 17.2 1.0
ND1 D:HIS241 4.7 21.9 1.0
C6 D:17E501 4.7 16.9 1.0
C2 D:17E501 4.8 15.0 1.0

Iron binding site 5 out of 6 in 4r85

Go back to Iron Binding Sites List in 4r85
Iron binding site 5 out of 6 in the Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine


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 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe502

b:17.4
occ:1.00
NE2 E:HIS56 2.3 16.2 1.0
NE2 E:HIS58 2.3 16.1 1.0
OD2 E:ASP308 2.3 14.3 1.0
NE2 E:HIS209 2.4 14.5 1.0
NE2 E:HIS241 2.6 21.7 1.0
CD2 E:HIS56 3.2 16.0 1.0
CD2 E:HIS58 3.2 14.9 1.0
CE1 E:HIS209 3.2 14.3 1.0
CD2 E:HIS209 3.3 15.0 1.0
CE1 E:HIS56 3.3 17.3 1.0
CG E:ASP308 3.3 17.6 1.0
CE1 E:HIS58 3.4 15.9 1.0
CD2 E:HIS241 3.4 17.4 1.0
CE1 E:HIS241 3.6 23.8 1.0
OD1 E:ASP308 3.7 19.8 1.0
N4 E:17E501 3.7 18.0 1.0
C4 E:17E501 3.7 18.4 1.0
C5 E:17E501 4.0 11.2 1.0
N3 E:17E501 4.1 16.7 1.0
CM5 E:17E501 4.3 10.4 1.0
ND1 E:HIS209 4.3 10.5 1.0
CG E:HIS56 4.3 13.2 1.0
CG E:HIS209 4.3 9.2 1.0
ND1 E:HIS56 4.3 14.9 1.0
CG E:HIS58 4.4 14.8 1.0
ND1 E:HIS58 4.4 15.0 1.0
CG E:HIS241 4.6 14.7 1.0
CB E:ASP308 4.6 12.7 1.0
C6 E:17E501 4.7 10.5 1.0
ND1 E:HIS241 4.7 18.0 1.0
C2 E:17E501 4.8 12.7 1.0

Iron binding site 6 out of 6 in 4r85

Go back to Iron Binding Sites List in 4r85
Iron binding site 6 out of 6 in the Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine


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 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe503

b:17.6
occ:1.00
NE2 F:HIS56 2.2 10.8 1.0
OD2 F:ASP308 2.3 13.6 1.0
NE2 F:HIS58 2.3 17.8 1.0
NE2 F:HIS209 2.4 18.8 1.0
NE2 F:HIS241 2.6 16.9 1.0
CD2 F:HIS56 3.1 11.4 1.0
CD2 F:HIS58 3.2 14.5 1.0
CE1 F:HIS56 3.2 15.4 1.0
CE1 F:HIS209 3.2 14.5 1.0
CG F:ASP308 3.3 16.2 1.0
CD2 F:HIS209 3.3 15.7 1.0
CE1 F:HIS58 3.4 12.6 1.0
CD2 F:HIS241 3.4 14.1 1.0
OD1 F:ASP308 3.6 21.8 1.0
CE1 F:HIS241 3.6 19.6 1.0
N4 F:17E502 3.7 17.5 1.0
C4 F:17E502 3.7 20.4 1.0
C5 F:17E502 4.0 16.8 1.0
N3 F:17E502 4.2 14.6 1.0
CM5 F:17E502 4.3 13.3 1.0
CG F:HIS56 4.3 8.6 1.0
ND1 F:HIS56 4.3 13.8 1.0
ND1 F:HIS209 4.3 11.8 1.0
CG F:HIS209 4.4 13.1 1.0
CG F:HIS58 4.4 14.8 1.0
ND1 F:HIS58 4.5 12.2 1.0
CB F:ASP308 4.6 15.3 1.0
CG F:HIS241 4.6 12.8 1.0
C6 F:17E502 4.7 16.6 1.0
ND1 F:HIS241 4.7 19.0 1.0
C2 F:17E502 4.8 17.5 1.0
CA F:ASP308 5.0 12.9 1.0

Reference:

A.A.Fedorov, E.V.Fedorov, D.S.Hitchcock, F.M.Raushel, S.C.Almo. Crystal Structure of 5-Methylcytosine Deaminase From Klebsiella Pneumoniae Liganded with 5-Methylcytosine To Be Published.
Page generated: Mon Aug 5 09:09:59 2024

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