Atomistry » Iron » PDB 5edt-5ex9 » 5epa
Atomistry »
  Iron »
    PDB 5edt-5ex9 »
      5epa »

Iron in PDB 5epa: Crystal Structure of Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis

Protein crystallography data

The structure of Crystal Structure of Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis, PDB code: 5epa was solved by B.Selvaraj, Y.Lindqvist, V.Siitonen, L.Niiranen, M.Metsa-Ketela, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.70 / 2.24
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.009, 83.151, 271.677, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 22.8

Other elements in 5epa:

The structure of Crystal Structure of Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis (pdb code 5epa). 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 Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis, PDB code: 5epa:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 5epa

Go back to Iron Binding Sites List in 5epa
Iron binding site 1 out of 6 in the Crystal Structure of Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis


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 Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe300

b:25.1
occ:1.00
O2 A:AKG301 1.9 14.1 1.0
OD1 A:ASP123 1.9 24.4 1.0
NE2 A:HIS121 2.1 24.5 1.0
O5 A:AKG301 2.1 16.3 1.0
NE2 A:HIS210 2.1 26.2 1.0
O A:HOH477 2.2 21.0 1.0
C1 A:AKG301 2.8 13.4 1.0
C2 A:AKG301 2.9 13.7 1.0
CE1 A:HIS210 3.0 25.1 1.0
CG A:ASP123 3.0 22.6 1.0
CE1 A:HIS121 3.1 23.6 1.0
CD2 A:HIS121 3.1 23.4 1.0
CD2 A:HIS210 3.3 24.9 1.0
OD2 A:ASP123 3.5 21.4 1.0
O A:HOH492 3.9 16.9 1.0
O1 A:AKG301 4.0 14.6 1.0
O A:HOH562 4.1 37.1 1.0
ND1 A:HIS210 4.2 25.0 1.0
ND1 A:HIS121 4.2 23.1 1.0
CG A:HIS121 4.2 23.2 1.0
NE2 A:HIS204 4.3 22.7 1.0
O A:HOH560 4.3 37.8 1.0
O A:HOH557 4.3 23.1 1.0
C3 A:AKG301 4.3 13.2 1.0
CG A:HIS210 4.3 24.3 1.0
CB A:ASP123 4.4 23.2 1.0
CH2 A:TRP57 4.6 26.8 1.0
CA A:ASP123 4.7 23.6 1.0
CE1 A:HIS204 4.9 22.2 1.0
N A:ASP123 5.0 22.7 1.0

Iron binding site 2 out of 6 in 5epa

Go back to Iron Binding Sites List in 5epa
Iron binding site 2 out of 6 in the Crystal Structure of Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis


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 Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:22.5
occ:1.00
O1 B:AKG302 1.9 14.4 1.0
OD1 B:ASP123 2.0 24.5 1.0
O5 B:AKG302 2.1 14.7 1.0
NE2 B:HIS121 2.1 26.5 1.0
NE2 B:HIS210 2.1 24.4 1.0
O B:HOH454 2.1 21.2 1.0
C1 B:AKG302 2.8 14.5 1.0
C2 B:AKG302 2.8 13.8 1.0
CE1 B:HIS210 2.9 23.1 1.0
CE1 B:HIS121 3.0 25.9 1.0
CG B:ASP123 3.1 22.2 1.0
CD2 B:HIS121 3.1 26.5 1.0
CD2 B:HIS210 3.3 23.1 1.0
OD2 B:ASP123 3.5 20.7 1.0
O2 B:AKG302 4.1 13.4 1.0
ND1 B:HIS210 4.1 23.0 1.0
ND1 B:HIS121 4.1 26.4 1.0
O B:HOH514 4.2 35.3 1.0
O B:HOH455 4.2 19.1 1.0
O B:HOH503 4.2 35.4 1.0
CG B:HIS121 4.2 26.5 1.0
NE2 B:HIS204 4.3 22.9 1.0
CG B:HIS210 4.3 22.2 1.0
C3 B:AKG302 4.3 12.8 1.0
CB B:ASP123 4.5 23.4 1.0
CH2 B:TRP57 4.6 30.6 1.0
CA B:ASP123 4.8 25.3 1.0
CE1 B:HIS204 4.9 22.5 1.0
N B:ASP123 4.9 24.7 1.0
C4 B:AKG302 5.0 12.2 1.0

Iron binding site 3 out of 6 in 5epa

Go back to Iron Binding Sites List in 5epa
Iron binding site 3 out of 6 in the Crystal Structure of Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis


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 Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe300

b:25.6
occ:1.00
OD1 C:ASP123 1.9 27.3 1.0
O2 C:AKG301 1.9 14.2 1.0
O C:HOH449 2.1 24.1 1.0
O5 C:AKG301 2.1 14.5 1.0
NE2 C:HIS121 2.1 25.2 1.0
NE2 C:HIS210 2.1 25.7 1.0
C1 C:AKG301 2.8 13.4 1.0
C2 C:AKG301 2.8 13.2 1.0
CE1 C:HIS210 2.9 24.8 1.0
CG C:ASP123 3.0 26.7 1.0
CE1 C:HIS121 3.1 23.9 1.0
CD2 C:HIS121 3.1 23.9 1.0
CD2 C:HIS210 3.3 24.0 1.0
OD2 C:ASP123 3.4 27.9 1.0
O C:HOH524 3.9 35.5 1.0
O1 C:AKG301 4.1 13.4 1.0
O C:HOH463 4.1 21.7 1.0
ND1 C:HIS210 4.1 24.9 1.0
ND1 C:HIS121 4.2 23.9 1.0
O C:HOH553 4.2 39.6 1.0
CG C:HIS121 4.2 24.2 1.0
NE2 C:HIS204 4.2 22.9 1.0
C3 C:AKG301 4.3 12.9 1.0
CB C:ASP123 4.3 27.2 1.0
CG C:HIS210 4.3 23.9 1.0
CA C:ASP123 4.7 27.9 1.0
CH2 C:TRP57 4.7 25.1 1.0
CE1 C:HIS204 4.8 22.7 1.0
N C:ASP123 4.9 26.2 1.0
C4 C:AKG301 5.0 12.2 1.0

Iron binding site 4 out of 6 in 5epa

Go back to Iron Binding Sites List in 5epa
Iron binding site 4 out of 6 in the Crystal Structure of Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis


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 Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe301

b:27.1
occ:1.00
O2 D:AKG302 1.9 18.4 1.0
OD1 D:ASP123 2.0 23.4 1.0
NE2 D:HIS121 2.1 25.6 1.0
O5 D:AKG302 2.1 17.1 1.0
O D:HOH445 2.1 25.9 1.0
NE2 D:HIS210 2.1 26.6 1.0
C1 D:AKG302 2.8 17.1 1.0
C2 D:AKG302 2.9 16.1 1.0
CE1 D:HIS210 3.0 26.2 1.0
CE1 D:HIS121 3.0 24.6 1.0
CG D:ASP123 3.1 22.8 1.0
CD2 D:HIS121 3.1 24.4 1.0
CD2 D:HIS210 3.3 25.4 1.0
OD2 D:ASP123 3.5 21.5 1.0
O1 D:AKG302 4.0 18.3 1.0
ND1 D:HIS121 4.1 24.6 1.0
ND1 D:HIS210 4.2 26.5 1.0
CG D:HIS121 4.2 24.2 1.0
O D:HOH472 4.2 20.8 1.0
NE2 D:HIS204 4.3 27.0 1.0
O D:HOH564 4.3 31.1 1.0
CG D:HIS210 4.4 25.9 1.0
C3 D:AKG302 4.4 14.5 1.0
O D:HOH560 4.4 29.2 1.0
CB D:ASP123 4.4 23.9 1.0
CH2 D:TRP57 4.6 22.9 1.0
CA D:ASP123 4.8 24.7 1.0
CE1 D:HIS204 4.9 26.7 1.0
N D:ASP123 4.9 23.5 1.0

Iron binding site 5 out of 6 in 5epa

Go back to Iron Binding Sites List in 5epa
Iron binding site 5 out of 6 in the Crystal Structure of Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis


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 Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe300

b:23.2
occ:1.00
O1 E:AKG301 1.9 14.5 1.0
OD1 E:ASP123 1.9 21.1 1.0
NE2 E:HIS121 2.1 21.5 1.0
O5 E:AKG301 2.1 15.2 1.0
O E:HOH443 2.1 19.8 1.0
NE2 E:HIS210 2.1 24.8 1.0
C1 E:AKG301 2.8 14.6 1.0
C2 E:AKG301 2.9 13.6 1.0
CE1 E:HIS210 2.9 23.8 1.0
CG E:ASP123 3.0 19.0 1.0
CE1 E:HIS121 3.1 20.4 1.0
CD2 E:HIS121 3.1 20.8 1.0
CD2 E:HIS210 3.3 23.1 1.0
OD2 E:ASP123 3.4 18.4 1.0
O2 E:AKG301 4.0 14.9 1.0
O E:HOH572 4.1 38.4 1.0
ND1 E:HIS210 4.1 23.9 1.0
ND1 E:HIS121 4.2 20.7 1.0
O E:HOH567 4.2 23.9 1.0
O E:HOH442 4.2 22.4 1.0
NE2 E:HIS204 4.2 20.2 1.0
CG E:HIS121 4.2 20.8 1.0
O E:HOH573 4.3 30.5 1.0
CB E:ASP123 4.3 20.0 1.0
CG E:HIS210 4.3 22.6 1.0
C3 E:AKG301 4.4 12.9 1.0
CH2 E:TRP57 4.7 25.7 1.0
CA E:ASP123 4.7 20.7 1.0
CE1 E:HIS204 4.8 21.0 1.0
N E:ASP123 4.9 20.8 1.0

Iron binding site 6 out of 6 in 5epa

Go back to Iron Binding Sites List in 5epa
Iron binding site 6 out of 6 in the Crystal Structure of Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis


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 Non-Heme Alpha Ketoglutarate Dependent Carbocyclase Snok From Nogalamycin Biosynthesis within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe300

b:21.5
occ:1.00
O1 F:AKG301 1.9 15.4 1.0
OD1 F:ASP123 2.0 30.4 1.0
NE2 F:HIS121 2.1 31.6 1.0
O5 F:AKG301 2.1 14.6 1.0
NE2 F:HIS210 2.1 29.4 1.0
O F:HOH434 2.1 26.2 1.0
C1 F:AKG301 2.8 14.5 1.0
C2 F:AKG301 2.9 14.3 1.0
CE1 F:HIS210 2.9 28.6 1.0
CG F:ASP123 3.1 28.2 1.0
CE1 F:HIS121 3.1 30.8 1.0
CD2 F:HIS121 3.1 31.3 1.0
CD2 F:HIS210 3.3 28.0 1.0
OD2 F:ASP123 3.5 28.1 1.0
O2 F:AKG301 4.0 15.1 1.0
ND1 F:HIS210 4.1 28.4 1.0
O F:HOH457 4.2 22.4 1.0
ND1 F:HIS121 4.2 31.0 1.0
CG F:HIS121 4.2 31.4 1.0
NE2 F:HIS204 4.3 26.6 1.0
CG F:HIS210 4.3 27.5 1.0
C3 F:AKG301 4.4 14.2 1.0
CB F:ASP123 4.4 28.8 1.0
O F:HOH487 4.5 27.9 1.0
CH2 F:TRP57 4.6 38.5 1.0
CA F:ASP123 4.7 29.7 1.0
CE1 F:HIS204 4.9 26.0 1.0
N F:ASP123 4.9 29.3 1.0
C4 F:AKG301 4.9 13.9 1.0

Reference:

V.Siitonen, B.Selvaraj, L.Niiranen, Y.Lindqvist, G.Schneider, M.Metsa-Ketela. Divergent Non-Heme Iron Enzymes in the Nogalamycin Biosynthetic Pathway. Proc.Natl.Acad.Sci.Usa V. 113 5251 2016.
ISSN: ESSN 1091-6490
PubMed: 27114534
DOI: 10.1073/PNAS.1525034113
Page generated: Tue Aug 6 00:30:33 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy