Atomistry » Iron » PDB 1phb-1q5d » 1q4g
Atomistry »
  Iron »
    PDB 1phb-1q5d »
      1q4g »

Iron in PDB 1q4g: 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid

Enzymatic activity of 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid

All present enzymatic activity of 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid:
1.14.99.1;

Protein crystallography data

The structure of 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid, PDB code: 1q4g was solved by K.Gupta, B.S.Selinksy, C.J.Kaub, A.K.Katz, P.J.Loll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.68 / 2.00
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 98.147, 203.859, 223.599, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 23.1

Iron Binding Sites:

The binding sites of Iron atom in the 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid (pdb code 1q4g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid, PDB code: 1q4g:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1q4g

Go back to Iron Binding Sites List in 1q4g
Iron binding site 1 out of 4 in the 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:42.2
occ:0.50
 FE A:HEM801 0.0 42.2 0.5
FE A:HEM801 0.0 41.0 0.5
NB A:HEM801 2.1 42.6 0.5
NB A:HEM801 2.1 41.4 0.5
ND A:HEM801 2.1 41.3 0.5
NC A:HEM801 2.1 41.2 0.5
NC A:HEM801 2.1 42.4 0.5
ND A:HEM801 2.1 42.5 0.5
NA A:HEM801 2.2 43.0 0.5
NA A:HEM801 2.2 41.7 0.5
NE2 A:HIS388 2.4 39.8 1.0
O1 A:GOL759 3.1 77.1 1.0
C4B A:HEM801 3.1 41.4 0.5
CD2 A:HIS388 3.1 38.7 1.0
C1C A:HEM801 3.1 41.2 0.5
C4B A:HEM801 3.1 42.6 0.5
C1B A:HEM801 3.1 43.0 0.5
C1B A:HEM801 3.1 41.8 0.5
CHC A:HEM801 3.1 41.0 0.5
C1C A:HEM801 3.1 42.4 0.5
CHB A:HEM801 3.1 43.0 0.5
C4C A:HEM801 3.1 41.3 0.5
C4C A:HEM801 3.2 42.5 0.5
CHA A:HEM801 3.2 41.4 0.5
C1D A:HEM801 3.2 42.4 0.5
CHB A:HEM801 3.2 41.8 0.5
C1D A:HEM801 3.2 41.2 0.5
CHD A:HEM801 3.2 42.4 0.5
C4A A:HEM801 3.2 43.3 0.5
CHD A:HEM801 3.2 41.1 0.5
C4D A:HEM801 3.2 41.0 0.5
C4D A:HEM801 3.2 42.3 0.5
CHC A:HEM801 3.2 42.2 0.5
C1A A:HEM801 3.2 42.0 0.5
C4A A:HEM801 3.2 42.0 0.5
C1A A:HEM801 3.2 43.4 0.5
CHA A:HEM801 3.3 42.8 0.5
CE1 A:HIS388 3.4 38.7 1.0
CG A:HIS388 4.3 38.0 1.0
C3B A:HEM801 4.3 41.8 0.5
C3B A:HEM801 4.3 43.0 0.5
C2C A:HEM801 4.4 41.4 0.5
C3C A:HEM801 4.4 41.3 0.5
OE1 A:GLN203 4.4 43.0 1.0
C3C A:HEM801 4.4 42.5 0.5
C2C A:HEM801 4.4 42.6 0.5
ND1 A:HIS388 4.4 38.2 1.0
C3D A:HEM801 4.4 42.1 0.5
C2B A:HEM801 4.4 41.9 0.5
C2B A:HEM801 4.4 43.0 0.5
C3D A:HEM801 4.4 40.8 0.5
C2A A:HEM801 4.5 44.5 0.5
C2D A:HEM801 4.5 42.2 0.5
C2A A:HEM801 4.5 43.0 0.5
C2D A:HEM801 4.5 41.0 0.5
C3A A:HEM801 4.5 44.2 0.5
C3A A:HEM801 4.5 42.8 0.5
C1 A:GOL759 4.6 77.6 1.0
CE1 A:HIS207 4.7 42.0 1.0
CG1 A:VAL447 4.8 38.2 1.0
NE2 A:HIS207 4.9 41.8 1.0
CD A:GLN203 5.0 41.2 1.0

Iron binding site 2 out of 4 in 1q4g

Go back to Iron Binding Sites List in 1q4g
Iron binding site 2 out of 4 in the 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:41.0
occ:0.50
 FE A:HEM801 0.0 42.2 0.5
FE A:HEM801 0.0 41.0 0.5
NB A:HEM801 2.1 42.6 0.5
NB A:HEM801 2.1 41.4 0.5
ND A:HEM801 2.1 41.3 0.5
NC A:HEM801 2.1 41.2 0.5
NC A:HEM801 2.1 42.4 0.5
ND A:HEM801 2.1 42.5 0.5
NA A:HEM801 2.2 43.0 0.5
NA A:HEM801 2.2 41.7 0.5
NE2 A:HIS388 2.4 39.8 1.0
O1 A:GOL759 3.1 77.1 1.0
C4B A:HEM801 3.1 41.4 0.5
CD2 A:HIS388 3.1 38.7 1.0
C1C A:HEM801 3.1 41.2 0.5
C4B A:HEM801 3.1 42.6 0.5
C1B A:HEM801 3.1 43.0 0.5
C1B A:HEM801 3.1 41.8 0.5
CHC A:HEM801 3.1 41.0 0.5
C1C A:HEM801 3.1 42.4 0.5
CHB A:HEM801 3.1 43.0 0.5
C4C A:HEM801 3.1 41.3 0.5
C4C A:HEM801 3.2 42.5 0.5
CHA A:HEM801 3.2 41.4 0.5
C1D A:HEM801 3.2 42.4 0.5
CHB A:HEM801 3.2 41.8 0.5
C1D A:HEM801 3.2 41.2 0.5
CHD A:HEM801 3.2 42.4 0.5
C4A A:HEM801 3.2 43.3 0.5
CHD A:HEM801 3.2 41.1 0.5
C4D A:HEM801 3.2 41.0 0.5
C4D A:HEM801 3.2 42.3 0.5
CHC A:HEM801 3.2 42.2 0.5
C1A A:HEM801 3.2 42.0 0.5
C4A A:HEM801 3.2 42.0 0.5
C1A A:HEM801 3.2 43.4 0.5
CHA A:HEM801 3.3 42.8 0.5
CE1 A:HIS388 3.4 38.7 1.0
CG A:HIS388 4.3 38.0 1.0
C3B A:HEM801 4.3 41.8 0.5
C3B A:HEM801 4.3 43.0 0.5
C2C A:HEM801 4.4 41.4 0.5
C3C A:HEM801 4.4 41.3 0.5
OE1 A:GLN203 4.4 43.0 1.0
C3C A:HEM801 4.4 42.5 0.5
C2C A:HEM801 4.4 42.6 0.5
ND1 A:HIS388 4.4 38.2 1.0
C3D A:HEM801 4.4 42.1 0.5
C2B A:HEM801 4.4 41.9 0.5
C2B A:HEM801 4.4 43.0 0.5
C3D A:HEM801 4.4 40.8 0.5
C2A A:HEM801 4.5 44.5 0.5
C2D A:HEM801 4.5 42.2 0.5
C2A A:HEM801 4.5 43.0 0.5
C2D A:HEM801 4.5 41.0 0.5
C3A A:HEM801 4.5 44.2 0.5
C3A A:HEM801 4.5 42.8 0.5
C1 A:GOL759 4.6 77.6 1.0
CE1 A:HIS207 4.7 42.0 1.0
CG1 A:VAL447 4.8 38.2 1.0
NE2 A:HIS207 4.9 41.8 1.0
CD A:GLN203 5.0 41.2 1.0

Iron binding site 3 out of 4 in 1q4g

Go back to Iron Binding Sites List in 1q4g
Iron binding site 3 out of 4 in the 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1601

b:40.4
occ:0.50
 FE B:HEM1601 0.0 40.8 0.5
FE B:HEM1601 0.0 40.4 0.5
NA B:HEM1601 2.0 41.8 0.5
NA B:HEM1601 2.1 42.1 0.5
NB B:HEM1601 2.1 41.0 0.5
NB B:HEM1601 2.1 41.5 0.5
ND B:HEM1601 2.1 41.6 0.5
NC B:HEM1601 2.1 41.3 0.5
ND B:HEM1601 2.2 41.4 0.5
NC B:HEM1601 2.2 41.0 0.5
NE2 B:HIS388 2.4 40.4 1.0
C4A B:HEM1601 3.1 42.3 0.5
C1A B:HEM1601 3.1 42.6 0.5
C1B B:HEM1601 3.1 41.3 0.5
C1A B:HEM1601 3.1 42.9 0.5
CHB B:HEM1601 3.1 41.8 0.5
C4D B:HEM1601 3.1 41.9 0.5
C4D B:HEM1601 3.1 41.7 0.5
C4A B:HEM1601 3.1 42.6 0.5
C1D B:HEM1601 3.2 41.7 0.5
C1B B:HEM1601 3.2 41.8 0.5
C4C B:HEM1601 3.2 41.4 0.5
C1C B:HEM1601 3.2 41.4 0.5
C4B B:HEM1601 3.2 41.5 0.5
C4B B:HEM1601 3.2 41.0 0.5
C1D B:HEM1601 3.2 41.5 0.5
CHB B:HEM1601 3.2 42.2 0.5
CHD B:HEM1601 3.2 41.6 0.5
CHA B:HEM1601 3.2 42.0 0.5
C4C B:HEM1601 3.2 41.1 0.5
CHC B:HEM1601 3.2 41.7 0.5
C1C B:HEM1601 3.2 41.0 0.5
CHA B:HEM1601 3.2 42.2 0.5
O1 B:GOL1760 3.2 78.7 1.0
CHD B:HEM1601 3.2 41.3 0.5
CHC B:HEM1601 3.2 41.2 0.5
CD2 B:HIS388 3.3 39.5 1.0
CE1 B:HIS388 3.4 40.9 1.0
OE1 B:GLN203 4.3 42.1 1.0
C3D B:HEM1601 4.3 42.0 0.5
C3D B:HEM1601 4.3 41.9 0.5
C2A B:HEM1601 4.4 43.3 0.5
C3B B:HEM1601 4.4 41.3 0.5
C3A B:HEM1601 4.4 43.1 0.5
C3B B:HEM1601 4.4 42.0 0.5
C2A B:HEM1601 4.4 43.5 0.5
C3C B:HEM1601 4.4 41.6 0.5
CG B:HIS388 4.4 39.6 1.0
C2C B:HEM1601 4.4 41.5 0.5
C3A B:HEM1601 4.4 43.4 0.5
C2D B:HEM1601 4.4 41.9 0.5
ND1 B:HIS388 4.4 40.6 1.0
C2B B:HEM1601 4.4 41.5 0.5
C3C B:HEM1601 4.5 41.3 0.5
C2D B:HEM1601 4.5 41.7 0.5
C2B B:HEM1601 4.5 42.1 0.5
C2C B:HEM1601 4.5 41.2 0.5
CE1 B:HIS207 4.6 41.9 1.0
C1 B:GOL1760 4.7 79.3 1.0
CG1 B:VAL447 4.9 39.5 1.0
NE2 B:HIS207 4.9 41.5 1.0
CD B:GLN203 5.0 40.8 1.0

Iron binding site 4 out of 4 in 1q4g

Go back to Iron Binding Sites List in 1q4g
Iron binding site 4 out of 4 in the 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in Complex with Alpha-Methyl-4-Biphenylacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1601

b:40.8
occ:0.50
 FE B:HEM1601 0.0 40.8 0.5
FE B:HEM1601 0.0 40.4 0.5
NA B:HEM1601 2.0 41.8 0.5
NA B:HEM1601 2.1 42.1 0.5
NB B:HEM1601 2.1 41.0 0.5
NB B:HEM1601 2.1 41.5 0.5
ND B:HEM1601 2.1 41.6 0.5
NC B:HEM1601 2.1 41.3 0.5
ND B:HEM1601 2.2 41.4 0.5
NC B:HEM1601 2.2 41.0 0.5
NE2 B:HIS388 2.4 40.4 1.0
C4A B:HEM1601 3.1 42.3 0.5
C1A B:HEM1601 3.1 42.6 0.5
C1B B:HEM1601 3.1 41.3 0.5
C1A B:HEM1601 3.1 42.9 0.5
CHB B:HEM1601 3.1 41.8 0.5
C4D B:HEM1601 3.1 41.9 0.5
C4D B:HEM1601 3.1 41.7 0.5
C4A B:HEM1601 3.1 42.6 0.5
C1D B:HEM1601 3.2 41.7 0.5
C1B B:HEM1601 3.2 41.8 0.5
C4C B:HEM1601 3.2 41.4 0.5
C1C B:HEM1601 3.2 41.4 0.5
C4B B:HEM1601 3.2 41.5 0.5
C4B B:HEM1601 3.2 41.0 0.5
C1D B:HEM1601 3.2 41.5 0.5
CHB B:HEM1601 3.2 42.2 0.5
CHD B:HEM1601 3.2 41.6 0.5
CHA B:HEM1601 3.2 42.0 0.5
C4C B:HEM1601 3.2 41.1 0.5
CHC B:HEM1601 3.2 41.7 0.5
C1C B:HEM1601 3.2 41.0 0.5
CHA B:HEM1601 3.2 42.2 0.5
O1 B:GOL1760 3.2 78.7 1.0
CHD B:HEM1601 3.2 41.3 0.5
CHC B:HEM1601 3.2 41.2 0.5
CD2 B:HIS388 3.3 39.5 1.0
CE1 B:HIS388 3.4 40.9 1.0
OE1 B:GLN203 4.3 42.1 1.0
C3D B:HEM1601 4.3 42.0 0.5
C3D B:HEM1601 4.3 41.9 0.5
C2A B:HEM1601 4.4 43.3 0.5
C3B B:HEM1601 4.4 41.3 0.5
C3A B:HEM1601 4.4 43.1 0.5
C3B B:HEM1601 4.4 42.0 0.5
C2A B:HEM1601 4.4 43.5 0.5
C3C B:HEM1601 4.4 41.6 0.5
CG B:HIS388 4.4 39.6 1.0
C2C B:HEM1601 4.4 41.5 0.5
C3A B:HEM1601 4.4 43.4 0.5
C2D B:HEM1601 4.4 41.9 0.5
ND1 B:HIS388 4.4 40.6 1.0
C2B B:HEM1601 4.4 41.5 0.5
C3C B:HEM1601 4.5 41.3 0.5
C2D B:HEM1601 4.5 41.7 0.5
C2B B:HEM1601 4.5 42.1 0.5
C2C B:HEM1601 4.5 41.2 0.5
CE1 B:HIS207 4.6 41.9 1.0
C1 B:GOL1760 4.7 79.3 1.0
CG1 B:VAL447 4.9 39.5 1.0
NE2 B:HIS207 4.9 41.5 1.0
CD B:GLN203 5.0 40.8 1.0

Reference:

K.Gupta, B.S.Selinsky, C.J.Kaub, A.K.Katz, P.J.Loll. The 2.0A Resolution Crystal Structure of Prostaglandin H(2) Synthase-1: Structural Insights Into An Unusual Peroxidase J.Mol.Biol. V. 335 503 2004.
ISSN: ISSN 0022-2836
PubMed: 14672659
DOI: 10.1016/J.JMB.2003.10.073
Page generated: Sat Aug 3 13:17:21 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