Atomistry » Cobalt » PDB 6ega-6kfl » 6ega
Atomistry »
  Cobalt »
    PDB 6ega-6kfl »
      6ega »

Cobalt in PDB 6ega: IRAK4 in Complex with A Type II Inhibitor

Enzymatic activity of IRAK4 in Complex with A Type II Inhibitor

All present enzymatic activity of IRAK4 in Complex with A Type II Inhibitor:
2.7.11.1;

Protein crystallography data

The structure of IRAK4 in Complex with A Type II Inhibitor, PDB code: 6ega was solved by L.Wang, H.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.29 / 2.51
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 84.629, 84.629, 429.041, 90.00, 90.00, 120.00
R / Rfree (%) 23 / 26.7

Other elements in 6ega:

The structure of IRAK4 in Complex with A Type II Inhibitor also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the IRAK4 in Complex with A Type II Inhibitor (pdb code 6ega). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 6 binding sites of Cobalt where determined in the IRAK4 in Complex with A Type II Inhibitor, PDB code: 6ega:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5; 6;

Cobalt binding site 1 out of 6 in 6ega

Go back to Cobalt Binding Sites List in 6ega
Cobalt binding site 1 out of 6 in the IRAK4 in Complex with A Type II Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of IRAK4 in Complex with A Type II Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co503

b:0.8
occ:1.00
NE2 A:HIS286 2.1 94.2 1.0
CE1 A:HIS286 3.1 84.4 1.0
CD2 A:HIS286 3.1 82.7 1.0
O A:HOH622 3.3 94.3 1.0
ND1 A:HIS286 4.2 72.4 1.0
CG A:HIS286 4.3 74.9 1.0

Cobalt binding site 2 out of 6 in 6ega

Go back to Cobalt Binding Sites List in 6ega
Cobalt binding site 2 out of 6 in the IRAK4 in Complex with A Type II Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of IRAK4 in Complex with A Type II Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co504

b:0.3
occ:1.00
NE2 A:HIS390 2.3 0.0 1.0
CD2 A:HIS390 3.0 89.4 1.0
CE1 A:HIS390 3.5 95.2 1.0
CG A:HIS390 4.3 83.1 1.0
ND1 A:HIS390 4.5 92.7 1.0

Cobalt binding site 3 out of 6 in 6ega

Go back to Cobalt Binding Sites List in 6ega
Cobalt binding site 3 out of 6 in the IRAK4 in Complex with A Type II Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of IRAK4 in Complex with A Type II Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co505

b:0.0
occ:1.00
NZ A:LYS408 3.0 0.6 1.0
CE A:LYS408 3.6 0.7 1.0
CD A:LYS408 4.8 0.3 1.0

Cobalt binding site 4 out of 6 in 6ega

Go back to Cobalt Binding Sites List in 6ega
Cobalt binding site 4 out of 6 in the IRAK4 in Complex with A Type II Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of IRAK4 in Complex with A Type II Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co506

b:0.4
occ:1.00
NE2 A:HIS306 2.2 98.4 1.0
CD2 A:HIS306 3.0 90.8 1.0
CE1 A:HIS306 3.3 89.1 1.0
O A:GLU304 4.0 94.5 1.0
CG A:HIS306 4.2 87.3 1.0
ND1 A:HIS306 4.3 89.1 1.0

Cobalt binding site 5 out of 6 in 6ega

Go back to Cobalt Binding Sites List in 6ega
Cobalt binding site 5 out of 6 in the IRAK4 in Complex with A Type II Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of IRAK4 in Complex with A Type II Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co503

b:0.6
occ:1.00
CE1 B:HIS286 2.2 0.5 1.0
NE2 B:HIS286 2.3 0.3 1.0
ND1 B:HIS286 3.5 0.9 1.0
CD2 B:HIS286 3.6 0.1 1.0
CG B:HIS286 4.2 99.3 1.0

Cobalt binding site 6 out of 6 in 6ega

Go back to Cobalt Binding Sites List in 6ega
Cobalt binding site 6 out of 6 in the IRAK4 in Complex with A Type II Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 6 of IRAK4 in Complex with A Type II Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co504

b:0.8
occ:0.50
CE1 B:HIS166 2.1 0.9 1.0
NE2 B:HIS166 2.5 0.5 1.0
OE2 B:GLU172 3.1 0.2 1.0
ND1 B:HIS166 3.4 0.5 1.0
O B:SER167 3.7 1.0 1.0
CD2 B:HIS166 3.9 0.3 1.0
CD B:GLU172 4.0 0.1 1.0
OE1 B:GLU172 4.1 0.3 1.0
CG B:HIS166 4.3 1.0 1.0
OD1 B:ASN206 4.8 0.3 1.0
C B:SER167 4.9 0.6 1.0

Reference:

L.Wang, R.Ferrao, Q.Li, J.M.Hatcher, H.G.Choi, S.J.Buhrlage, N.S.Gray, H.Wu. Conformational Flexibility and Inhibitor Binding to Unphosphorylated Interleukin-1 Receptor-Associated Kinase 4 (IRAK4). J.Biol.Chem. V. 294 4511 2019.
ISSN: ESSN 1083-351X
PubMed: 30679311
DOI: 10.1074/JBC.RA118.005428
Page generated: Tue Jul 30 18:37:24 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