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Iron in PDB 3gas: Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme

Enzymatic activity of Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme

All present enzymatic activity of Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme:
1.14.99.3;

Protein crystallography data

The structure of Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme, PDB code: 3gas was solved by F.Jiang, Y.L.Hu, Y.Guo, G.Guo, Q.M.Zou, D.C.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.87 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 88.330, 139.340, 152.900, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 22.2

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme (pdb code 3gas). 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 Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme, PDB code: 3gas:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 3gas

Go back to Iron Binding Sites List in 3gas
Iron binding site 1 out of 6 in the Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme


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 Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1290

b:19.7
occ:1.00
FE A:HEM1290 0.0 19.7 1.0
ND A:HEM1290 2.0 16.8 1.0
NC A:HEM1290 2.0 21.3 1.0
NA A:HEM1290 2.0 15.1 1.0
NB A:HEM1290 2.0 18.1 1.0
NE2 A:HIS245 2.2 22.5 1.0
N1 A:AZI1296 2.3 29.1 1.0
C1D A:HEM1290 3.0 22.5 1.0
C4C A:HEM1290 3.0 18.0 1.0
C4D A:HEM1290 3.0 19.6 1.0
C1C A:HEM1290 3.0 20.8 1.0
C1B A:HEM1290 3.0 22.2 1.0
C4A A:HEM1290 3.0 18.1 1.0
C1A A:HEM1290 3.0 16.0 1.0
N2 A:AZI1296 3.1 26.7 1.0
C4B A:HEM1290 3.1 19.6 1.0
CD2 A:HIS245 3.1 21.3 1.0
CE1 A:HIS245 3.2 21.2 1.0
CHD A:HEM1290 3.3 19.6 1.0
CHB A:HEM1290 3.4 16.9 1.0
CHA A:HEM1290 3.4 15.4 1.0
CHC A:HEM1290 3.4 20.6 1.0
N3 A:AZI1296 4.0 18.3 1.0
C3D A:HEM1290 4.2 20.0 1.0
C3A A:HEM1290 4.3 14.0 1.0
C2D A:HEM1290 4.3 20.0 1.0
C2C A:HEM1290 4.3 18.5 1.0
C2A A:HEM1290 4.3 13.4 1.0
ND1 A:HIS245 4.3 23.4 1.0
C3C A:HEM1290 4.3 18.2 1.0
CG A:HIS245 4.3 24.1 1.0
C2B A:HEM1290 4.3 19.5 1.0
C3B A:HEM1290 4.3 21.2 1.0
N A:GLY225 4.4 16.3 1.0
CA A:PHE224 5.0 16.8 1.0

Iron binding site 2 out of 6 in 3gas

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Iron binding site 2 out of 6 in the Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme


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 Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1293

b:22.6
occ:1.00
FE B:HEM1293 0.0 22.6 1.0
ND B:HEM1293 2.0 24.0 1.0
NB B:HEM1293 2.0 23.9 1.0
NC B:HEM1293 2.0 25.0 1.0
NA B:HEM1293 2.0 18.5 1.0
NE2 B:HIS245 2.2 25.9 1.0
N1 B:AZI1299 2.3 30.5 1.0
C4D B:HEM1293 3.0 25.2 1.0
C4C B:HEM1293 3.0 24.9 1.0
C1D B:HEM1293 3.0 27.1 1.0
C1C B:HEM1293 3.0 28.2 1.0
C1A B:HEM1293 3.0 21.2 1.0
C1B B:HEM1293 3.0 21.3 1.0
C4A B:HEM1293 3.1 20.1 1.0
N2 B:AZI1299 3.1 32.8 1.0
C4B B:HEM1293 3.1 24.9 1.0
CD2 B:HIS245 3.1 30.4 1.0
CE1 B:HIS245 3.2 25.6 1.0
CHA B:HEM1293 3.4 22.2 1.0
CHD B:HEM1293 3.4 25.3 1.0
CHB B:HEM1293 3.4 20.2 1.0
CHC B:HEM1293 3.4 28.8 1.0
N3 B:AZI1299 4.0 23.7 1.0
C3D B:HEM1293 4.3 22.5 1.0
C2A B:HEM1293 4.3 16.3 1.0
C3A B:HEM1293 4.3 16.3 1.0
C2C B:HEM1293 4.3 29.8 1.0
C3B B:HEM1293 4.3 27.3 1.0
C2B B:HEM1293 4.3 25.2 1.0
C2D B:HEM1293 4.3 26.6 1.0
N B:GLY225 4.3 21.1 1.0
CG B:HIS245 4.3 32.2 1.0
C3C B:HEM1293 4.3 26.9 1.0
ND1 B:HIS245 4.3 26.7 1.0
CA B:PHE224 5.0 18.0 1.0

Iron binding site 3 out of 6 in 3gas

Go back to Iron Binding Sites List in 3gas
Iron binding site 3 out of 6 in the Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme


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 Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1295

b:23.5
occ:1.00
FE C:HEM1295 0.0 23.5 1.0
ND C:HEM1295 2.0 22.9 1.0
NB C:HEM1295 2.0 22.9 1.0
NC C:HEM1295 2.0 24.1 1.0
NA C:HEM1295 2.0 19.4 1.0
NE2 C:HIS245 2.2 26.9 1.0
N1 C:AZI1301 2.3 33.2 1.0
C4C C:HEM1295 3.0 24.1 1.0
C4D C:HEM1295 3.0 24.4 1.0
C1C C:HEM1295 3.0 25.2 1.0
C1D C:HEM1295 3.0 24.1 1.0
C1B C:HEM1295 3.0 22.9 1.0
C1A C:HEM1295 3.0 21.2 1.0
C4A C:HEM1295 3.1 22.0 1.0
C4B C:HEM1295 3.1 23.2 1.0
N2 C:AZI1301 3.1 34.4 1.0
CD2 C:HIS245 3.1 31.3 1.0
CE1 C:HIS245 3.2 24.2 1.0
CHA C:HEM1295 3.4 19.4 1.0
CHB C:HEM1295 3.4 22.7 1.0
CHD C:HEM1295 3.4 25.5 1.0
CHC C:HEM1295 3.4 25.4 1.0
N3 C:AZI1301 4.0 26.6 1.0
C3A C:HEM1295 4.3 16.9 1.0
C2A C:HEM1295 4.3 18.8 1.0
CG C:HIS245 4.3 31.8 1.0
C3D C:HEM1295 4.3 22.6 1.0
C2C C:HEM1295 4.3 24.8 1.0
C3B C:HEM1295 4.3 25.3 1.0
C2B C:HEM1295 4.3 22.7 1.0
ND1 C:HIS245 4.3 27.1 1.0
C2D C:HEM1295 4.3 24.3 1.0
C3C C:HEM1295 4.3 26.3 1.0
N C:GLY225 4.4 19.8 1.0

Iron binding site 4 out of 6 in 3gas

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Iron binding site 4 out of 6 in the Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme


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 Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe1294

b:22.6
occ:1.00
FE D:HEM1294 0.0 22.6 1.0
ND D:HEM1294 2.0 22.9 1.0
NC D:HEM1294 2.0 24.6 1.0
NB D:HEM1294 2.0 22.1 1.0
NA D:HEM1294 2.0 19.7 1.0
NE2 D:HIS245 2.2 28.2 1.0
N1 D:AZI1300 2.2 24.9 1.0
N2 D:AZI1300 2.9 31.4 1.0
C1D D:HEM1294 3.0 26.1 1.0
C4D D:HEM1294 3.0 23.8 1.0
C4C D:HEM1294 3.0 23.0 1.0
C1C D:HEM1294 3.0 24.5 1.0
C1B D:HEM1294 3.0 22.2 1.0
C1A D:HEM1294 3.0 19.5 1.0
C4B D:HEM1294 3.1 24.1 1.0
C4A D:HEM1294 3.1 20.2 1.0
CD2 D:HIS245 3.1 27.8 1.0
CE1 D:HIS245 3.2 28.3 1.0
CHA D:HEM1294 3.4 20.9 1.0
CHD D:HEM1294 3.4 24.6 1.0
CHB D:HEM1294 3.4 20.5 1.0
CHC D:HEM1294 3.4 24.7 1.0
N3 D:AZI1300 3.9 19.6 1.0
C3D D:HEM1294 4.2 24.2 1.0
C2C D:HEM1294 4.3 25.2 1.0
C3B D:HEM1294 4.3 25.1 1.0
C2A D:HEM1294 4.3 16.8 1.0
C2D D:HEM1294 4.3 24.7 1.0
CG D:HIS245 4.3 28.3 1.0
C3A D:HEM1294 4.3 18.7 1.0
ND1 D:HIS245 4.3 24.2 1.0
C2B D:HEM1294 4.3 22.5 1.0
C3C D:HEM1294 4.3 24.8 1.0
N D:GLY225 4.4 19.1 1.0
CA D:PHE224 5.0 16.6 1.0

Iron binding site 5 out of 6 in 3gas

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Iron binding site 5 out of 6 in the Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme


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 Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe1291

b:18.5
occ:1.00
FE E:HEM1291 0.0 18.5 1.0
ND E:HEM1291 2.0 15.7 1.0
NC E:HEM1291 2.0 17.3 1.0
NB E:HEM1291 2.0 19.7 1.0
NA E:HEM1291 2.0 15.2 1.0
NE2 E:HIS245 2.2 20.2 1.0
N1 E:AZI1297 2.3 25.4 1.0
N2 E:AZI1297 3.0 28.9 1.0
C4C E:HEM1291 3.0 18.7 1.0
C1D E:HEM1291 3.0 19.3 1.0
C1C E:HEM1291 3.0 18.1 1.0
C4D E:HEM1291 3.0 17.9 1.0
C1B E:HEM1291 3.0 18.6 1.0
C4A E:HEM1291 3.0 17.0 1.0
C1A E:HEM1291 3.1 17.4 1.0
C4B E:HEM1291 3.1 20.1 1.0
CD2 E:HIS245 3.2 25.7 1.0
CE1 E:HIS245 3.2 22.8 1.0
CHD E:HEM1291 3.4 18.3 1.0
CHB E:HEM1291 3.4 17.1 1.0
CHA E:HEM1291 3.4 16.7 1.0
CHC E:HEM1291 3.4 20.0 1.0
N3 E:AZI1297 3.9 18.7 1.0
C2C E:HEM1291 4.3 20.6 1.0
C3A E:HEM1291 4.3 15.8 1.0
C3D E:HEM1291 4.3 17.4 1.0
C2A E:HEM1291 4.3 12.5 1.0
C2D E:HEM1291 4.3 19.7 1.0
C3C E:HEM1291 4.3 18.2 1.0
C3B E:HEM1291 4.3 22.2 1.0
C2B E:HEM1291 4.3 20.6 1.0
ND1 E:HIS245 4.3 21.7 1.0
CG E:HIS245 4.3 23.8 1.0
N E:GLY225 4.4 15.3 1.0

Iron binding site 6 out of 6 in 3gas

Go back to Iron Binding Sites List in 3gas
Iron binding site 6 out of 6 in the Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme


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 Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe1292

b:20.4
occ:1.00
FE F:HEM1292 0.0 20.4 1.0
ND F:HEM1292 2.0 20.1 1.0
NC F:HEM1292 2.0 21.1 1.0
NB F:HEM1292 2.0 20.5 1.0
NA F:HEM1292 2.0 16.8 1.0
NE2 F:HIS245 2.2 22.7 1.0
N1 F:AZI1298 2.3 28.5 1.0
C1D F:HEM1292 3.0 22.2 1.0
C4C F:HEM1292 3.0 20.3 1.0
C4D F:HEM1292 3.0 21.1 1.0
C1C F:HEM1292 3.0 20.8 1.0
N2 F:AZI1298 3.0 31.6 1.0
C1B F:HEM1292 3.1 21.4 1.0
C1A F:HEM1292 3.1 18.3 1.0
C4A F:HEM1292 3.1 17.2 1.0
C4B F:HEM1292 3.1 21.7 1.0
CD2 F:HIS245 3.1 27.8 1.0
CE1 F:HIS245 3.2 22.3 1.0
CHD F:HEM1292 3.4 21.4 1.0
CHA F:HEM1292 3.4 19.4 1.0
CHB F:HEM1292 3.4 18.6 1.0
CHC F:HEM1292 3.4 22.1 1.0
N3 F:AZI1298 4.0 24.0 1.0
C3D F:HEM1292 4.3 21.2 1.0
C2C F:HEM1292 4.3 24.2 1.0
C3A F:HEM1292 4.3 15.3 1.0
C2D F:HEM1292 4.3 22.2 1.0
C2A F:HEM1292 4.3 15.8 1.0
CG F:HIS245 4.3 25.1 1.0
C3B F:HEM1292 4.3 24.8 1.0
C3C F:HEM1292 4.3 22.7 1.0
C2B F:HEM1292 4.3 20.8 1.0
ND1 F:HIS245 4.3 23.0 1.0
N F:GLY225 4.4 19.4 1.0

Reference:

F.Jiang, Y.L.Hu, Y.Guo, G.Guo, Q.M.Zou, D.C.Wang. Crystal Structure of Helicobacter Pylori Heme Oxygenase Hugz in Complex with Heme To Be Published.
Page generated: Sun Aug 4 10:26:34 2024

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