Atomistry » Cobalt » PDB 5d6f-5ikv » 5ikt
Atomistry »
  Cobalt »
    PDB 5d6f-5ikv »
      5ikt »

Cobalt in PDB 5ikt: The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2

Enzymatic activity of The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2

All present enzymatic activity of The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2:
1.14.99.1;

Protein crystallography data

The structure of The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2, PDB code: 5ikt was solved by B.J.Orlando, M.G.Malkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.97 / 2.45
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 126.669, 149.759, 185.726, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 22

Other elements in 5ikt:

The structure of The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2 (pdb code 5ikt). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2, PDB code: 5ikt:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in 5ikt

Go back to Cobalt Binding Sites List in 5ikt
Cobalt binding site 1 out of 2 in the The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co602

b:51.3
occ:1.00
CO A:COH602 0.0 51.3 1.0
NC A:COH602 2.1 58.7 1.0
NB A:COH602 2.1 63.2 1.0
NA A:COH602 2.1 62.5 1.0
ND A:COH602 2.1 57.4 1.0
NE2 A:HIS388 2.1 68.8 1.0
C1C A:COH602 3.1 58.5 1.0
CD2 A:HIS388 3.1 56.8 1.0
C1D A:COH602 3.1 51.0 1.0
C4C A:COH602 3.1 54.5 1.0
C4B A:COH602 3.1 57.4 1.0
C4A A:COH602 3.1 60.7 1.0
C1B A:COH602 3.1 52.8 1.0
C1A A:COH602 3.1 55.0 1.0
C4D A:COH602 3.1 56.8 1.0
CE1 A:HIS388 3.2 62.9 1.0
HD2 A:HIS388 3.2 68.1 1.0
HE1 A:HIS388 3.4 75.4 1.0
CHD A:COH602 3.4 51.5 1.0
CHC A:COH602 3.4 52.4 1.0
CHB A:COH602 3.5 56.8 1.0
CHA A:COH602 3.5 61.4 1.0
HE21 A:GLN203 4.0 65.8 1.0
HG11 A:VAL447 4.0 97.6 1.0
HE1 A:HIS207 4.1 59.2 1.0
CG A:HIS388 4.2 54.3 1.0
ND1 A:HIS388 4.2 56.4 1.0
HE2 A:HIS207 4.3 84.0 1.0
C2C A:COH602 4.3 52.6 1.0
C3C A:COH602 4.3 53.8 1.0
C3A A:COH602 4.3 61.9 1.0
C2D A:COH602 4.3 51.1 1.0
C2A A:COH602 4.3 56.8 1.0
C3B A:COH602 4.3 52.3 1.0
C2B A:COH602 4.3 51.3 1.0
C3D A:COH602 4.3 57.2 1.0
NE2 A:GLN203 4.4 54.9 1.0
HHD A:COH602 4.4 61.8 1.0
HHB A:COH602 4.4 68.1 1.0
HHC A:COH602 4.4 62.8 1.0
HG3 A:GLN203 4.4 56.8 1.0
HHA A:COH602 4.4 73.7 1.0
HE22 A:GLN203 4.5 65.8 1.0
CE1 A:HIS207 4.7 49.4 1.0
NE2 A:HIS207 4.8 70.0 1.0
CG1 A:VAL447 4.9 81.4 1.0

Cobalt binding site 2 out of 2 in 5ikt

Go back to Cobalt Binding Sites List in 5ikt
Cobalt binding site 2 out of 2 in the The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co602

b:45.3
occ:1.00
CO B:COH602 0.0 45.3 1.0
NC B:COH602 2.0 50.7 1.0
ND B:COH602 2.1 64.1 1.0
NB B:COH602 2.1 65.5 1.0
NA B:COH602 2.1 70.5 1.0
NE2 B:HIS388 2.1 62.9 1.0
C1C B:COH602 3.0 54.7 1.0
CD2 B:HIS388 3.0 64.3 1.0
C4B B:COH602 3.1 52.3 1.0
C4D B:COH602 3.1 53.6 1.0
C4C B:COH602 3.1 52.4 1.0
C1A B:COH602 3.1 57.2 1.0
C1D B:COH602 3.1 52.4 1.0
C4A B:COH602 3.1 65.5 1.0
C1B B:COH602 3.1 52.1 1.0
CE1 B:HIS388 3.2 74.5 1.0
HD2 B:HIS388 3.2 77.2 1.0
HE1 B:HIS388 3.4 89.4 1.0
CHC B:COH602 3.4 51.1 1.0
CHA B:COH602 3.4 53.8 1.0
CHD B:COH602 3.4 55.0 1.0
CHB B:COH602 3.5 55.0 1.0
HE21 B:GLN203 3.9 62.2 1.0
HE2 B:HIS207 4.1 63.8 1.0
HG11 B:VAL447 4.1 77.3 1.0
CG B:HIS388 4.2 67.9 1.0
ND1 B:HIS388 4.2 59.4 1.0
HE1 B:HIS207 4.2 54.0 1.0
C2C B:COH602 4.2 47.7 1.0
C3C B:COH602 4.3 47.4 1.0
HG3 B:GLN203 4.3 52.0 1.0
C3B B:COH602 4.3 52.1 1.0
C2A B:COH602 4.3 64.7 1.0
C3D B:COH602 4.3 56.6 1.0
C2D B:COH602 4.3 53.7 1.0
NE2 B:GLN203 4.3 51.9 1.0
C3A B:COH602 4.3 66.3 1.0
C2B B:COH602 4.4 49.5 1.0
HHC B:COH602 4.4 61.3 1.0
HHA B:COH602 4.4 64.5 1.0
HHD B:COH602 4.4 65.9 1.0
HHB B:COH602 4.4 66.0 1.0
HE22 B:GLN203 4.6 62.2 1.0
NE2 B:HIS207 4.7 53.1 1.0
CE1 B:HIS207 4.8 45.0 1.0
HD11 B:LEU391 4.9 63.8 1.0

Reference:

B.J.Orlando, M.G.Malkowski. Substrate-Selective Inhibition of Cyclooxygeanse-2 By Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J.Biol.Chem. V. 291 15069 2016.
ISSN: ESSN 1083-351X
PubMed: 27226593
DOI: 10.1074/JBC.M116.725713
Page generated: Sun Dec 13 10:47:36 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy