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Iron in PDB 1ht8: The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac

Enzymatic activity of The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac

All present enzymatic activity of The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac:
1.14.99.1;

Protein crystallography data

The structure of The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac, PDB code: 1ht8 was solved by B.S.Selinsky, K.Gupta, C.T.Sharkey, P.J.Loll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.92 / 2.69
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 99.149, 208.450, 222.399, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 24.2

Other elements in 1ht8:

The structure of The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac (pdb code 1ht8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac, PDB code: 1ht8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1ht8

Go back to Iron Binding Sites List in 1ht8
Iron binding site 1 out of 2 in the The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:24.1
occ:1.00
FE A:HEM601 0.0 24.1 1.0
NA A:HEM601 2.0 25.4 1.0
NB A:HEM601 2.0 24.8 1.0
ND A:HEM601 2.0 24.7 1.0
NC A:HEM601 2.0 25.5 1.0
NE2 A:HIS388 2.3 24.1 1.0
C4A A:HEM601 3.0 25.4 1.0
C1A A:HEM601 3.0 25.5 1.0
C4D A:HEM601 3.0 24.2 1.0
C1B A:HEM601 3.0 24.6 1.0
C4B A:HEM601 3.0 24.9 1.0
C1C A:HEM601 3.0 25.6 1.0
C1D A:HEM601 3.1 24.0 1.0
C4C A:HEM601 3.1 25.1 1.0
CE1 A:HIS388 3.3 23.8 1.0
CD2 A:HIS388 3.3 23.2 1.0
CHB A:HEM601 3.4 24.5 1.0
CHA A:HEM601 3.4 24.6 1.0
CHC A:HEM601 3.4 25.5 1.0
CHD A:HEM601 3.4 24.1 1.0
C3A A:HEM601 4.3 26.2 1.0
C2A A:HEM601 4.3 26.8 1.0
C3D A:HEM601 4.3 24.4 1.0
C3B A:HEM601 4.3 25.1 1.0
C2B A:HEM601 4.3 25.4 1.0
C2D A:HEM601 4.3 24.2 1.0
C3C A:HEM601 4.3 26.0 1.0
C2C A:HEM601 4.3 26.5 1.0
ND1 A:HIS388 4.4 23.9 1.0
OE1 A:GLN203 4.4 21.6 1.0
CG A:HIS388 4.4 23.4 1.0
NE2 A:HIS207 4.5 20.2 1.0
CE1 A:HIS207 4.7 21.0 1.0
CG1 A:VAL447 5.0 19.5 1.0

Iron binding site 2 out of 2 in 1ht8

Go back to Iron Binding Sites List in 1ht8
Iron binding site 2 out of 2 in the The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The 2.7 Angstrom Resolution Model of Ovine Cox-1 Complexed with Alclofenac within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe601

b:22.9
occ:1.00
FE B:HEM601 0.0 22.9 1.0
NA B:HEM601 2.0 25.5 1.0
ND B:HEM601 2.0 23.9 1.0
NB B:HEM601 2.0 24.6 1.0
NC B:HEM601 2.0 24.4 1.0
NE2 B:HIS388 2.3 22.3 1.0
C1A B:HEM601 3.0 25.9 1.0
C4D B:HEM601 3.0 23.7 1.0
C4A B:HEM601 3.0 25.2 1.0
C1B B:HEM601 3.0 24.5 1.0
C1D B:HEM601 3.0 23.6 1.0
C4C B:HEM601 3.1 23.8 1.0
C4B B:HEM601 3.1 23.8 1.0
C1C B:HEM601 3.1 24.6 1.0
CD2 B:HIS388 3.1 22.4 1.0
CE1 B:HIS388 3.3 22.2 1.0
CHA B:HEM601 3.4 25.6 1.0
CHB B:HEM601 3.4 24.7 1.0
CHD B:HEM601 3.4 23.1 1.0
CHC B:HEM601 3.4 23.8 1.0
C3A B:HEM601 4.2 26.8 1.0
C3D B:HEM601 4.2 23.8 1.0
C2A B:HEM601 4.2 27.0 1.0
CG B:HIS388 4.3 22.3 1.0
C2D B:HEM601 4.3 23.6 1.0
C2B B:HEM601 4.3 25.0 1.0
C3B B:HEM601 4.3 24.5 1.0
C3C B:HEM601 4.3 25.4 1.0
C2C B:HEM601 4.3 25.2 1.0
ND1 B:HIS388 4.3 21.3 1.0
NE2 B:HIS207 4.4 21.6 1.0
OE1 B:GLN203 4.4 21.8 1.0
CE1 B:HIS207 4.6 23.0 1.0
CG1 B:VAL447 4.9 17.4 1.0

Reference:

B.S.Selinsky, K.Gupta, C.T.Sharkey, P.J.Loll. Structural Analysis of Nsaid Binding By Prostaglandin H2 Synthase: Time-Dependent and Time-Independent Inhibitors Elicit Identical Enzyme Conformations. Biochemistry V. 40 5172 2001.
ISSN: ISSN 0006-2960
PubMed: 11318639
DOI: 10.1021/BI010045S
Page generated: Sun Dec 13 14:18:05 2020

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