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

Cobalt in PDB 5faq: Oxa-48 in Complex with Fpi-1465

Enzymatic activity of Oxa-48 in Complex with Fpi-1465

All present enzymatic activity of Oxa-48 in Complex with Fpi-1465:
3.5.2.6;

Protein crystallography data

The structure of Oxa-48 in Complex with Fpi-1465, PDB code: 5faq was solved by A.M.King, D.T.King, S.French, E.Brouillette, A.Asli, A.N.Alexander, M.Vuckovic, S.N.Maiti, T.R.Parr, E.D.Brown, F.Malouin, N.C.J.Strynadka, G.D.Wright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.64 / 1.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.760, 75.470, 106.970, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 21

Other elements in 5faq:

The structure of Oxa-48 in Complex with Fpi-1465 also contains other interesting chemical elements:

Cadmium (Cd) 3 atoms
Chlorine (Cl) 1 atom

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Oxa-48 in Complex with Fpi-1465 (pdb code 5faq). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 6 binding sites of Cobalt where determined in the Oxa-48 in Complex with Fpi-1465, PDB code: 5faq:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5; 6;

Cobalt binding site 1 out of 6 in 5faq

Go back to Cobalt Binding Sites List in 5faq
Cobalt binding site 1 out of 6 in the Oxa-48 in Complex with Fpi-1465


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Oxa-48 in Complex with Fpi-1465 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co306

b:26.3
occ:0.50
 CO B:CO303 3.8 31.0 0.5
OE1 B:GLU147 4.2 22.9 1.0
O B:ASN146 4.7 22.9 1.0

Cobalt binding site 2 out of 6 in 5faq

Go back to Cobalt Binding Sites List in 5faq
Cobalt binding site 2 out of 6 in the Oxa-48 in Complex with Fpi-1465


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Oxa-48 in Complex with Fpi-1465 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co301

b:48.1
occ:1.00
 ND1 B:HIS34 2.4 37.1 1.0
OE2 B:GLU37 2.4 82.0 1.0
OE1 B:GLU256 2.5 52.8 1.0
CE1 B:HIS34 3.1 36.0 1.0
CD B:GLU256 3.1 49.2 1.0
CD B:GLU37 3.4 83.1 1.0
CG B:HIS34 3.5 34.9 1.0
CG B:GLU256 3.6 41.5 1.0
OE1 B:GLU37 3.8 90.1 1.0
CB B:HIS34 4.0 35.0 1.0
OE2 B:GLU256 4.1 57.8 1.0
CB B:GLU256 4.1 35.5 1.0
CA B:HIS34 4.1 38.1 1.0
NE2 B:HIS34 4.3 34.5 1.0
CD2 B:HIS34 4.5 32.6 1.0
CG B:GLU37 4.7 72.8 1.0
O B:HOH425 4.7 38.6 1.0
N B:HIS34 4.9 37.9 1.0
CE1 B:HIS38 4.9 41.6 1.0

Cobalt binding site 3 out of 6 in 5faq

Go back to Cobalt Binding Sites List in 5faq
Cobalt binding site 3 out of 6 in the Oxa-48 in Complex with Fpi-1465


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Oxa-48 in Complex with Fpi-1465 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co302

b:12.1
occ:0.70
 CO B:CO305 1.3 19.1 1.0
OE1 B:GLU147 2.3 22.9 1.0
OE2 B:GLU147 2.6 24.3 1.0
CD B:GLU147 2.8 23.2 1.0
CD2 B:HIS140 4.1 26.3 1.0
OD1 B:ASP143 4.2 22.4 1.0
CG B:GLU147 4.3 23.2 1.0
NE2 B:HIS140 4.9 29.5 1.0
O B:HIS140 5.0 22.5 1.0
CG B:HIS140 5.0 27.3 1.0

Cobalt binding site 4 out of 6 in 5faq

Go back to Cobalt Binding Sites List in 5faq
Cobalt binding site 4 out of 6 in the Oxa-48 in Complex with Fpi-1465


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Oxa-48 in Complex with Fpi-1465 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co303

b:31.0
occ:0.50
 NE2 B:HIS140 2.3 29.5 1.0
CE1 B:HIS140 3.1 30.3 1.0
CD2 B:HIS140 3.3 26.3 1.0
CO A:CO306 3.8 26.3 0.5
ND1 B:HIS140 4.3 28.5 1.0
CG B:HIS140 4.4 27.3 1.0
OE1 B:GLU147 4.4 22.9 1.0
O B:GLU147 5.0 21.5 1.0

Cobalt binding site 5 out of 6 in 5faq

Go back to Cobalt Binding Sites List in 5faq
Cobalt binding site 5 out of 6 in the Oxa-48 in Complex with Fpi-1465


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of Oxa-48 in Complex with Fpi-1465 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co304

b:56.7
occ:1.00
 O B:HOH572 2.5 36.9 1.0
CD2 B:HIS90 3.0 32.4 1.0
ND1 A:HIS178 3.2 25.6 1.0
O A:HOH443 3.3 32.1 1.0
NE2 B:HIS90 3.4 34.2 1.0
CG B:HIS90 3.9 29.0 1.0
CE1 A:HIS178 4.0 24.7 1.0
CG A:HIS178 4.2 20.9 1.0
CA A:HIS178 4.2 20.1 1.0
CE1 B:HIS90 4.4 31.4 1.0
CB A:HIS178 4.4 22.4 1.0
ND1 B:HIS90 4.6 31.8 1.0
CB B:HIS90 4.6 26.2 1.0
O A:HIS178 4.7 18.2 1.0
C A:HIS178 4.8 20.2 1.0
CE2 A:TYR177 4.9 17.2 1.0
O A:TYR177 5.0 18.5 1.0

Cobalt binding site 6 out of 6 in 5faq

Go back to Cobalt Binding Sites List in 5faq
Cobalt binding site 6 out of 6 in the Oxa-48 in Complex with Fpi-1465


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 6 of Oxa-48 in Complex with Fpi-1465 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co305

b:19.1
occ:1.00
 CO B:CO302 1.3 12.1 0.7
OE1 B:GLU147 2.4 22.9 1.0
OE2 B:GLU147 2.6 24.3 1.0
CD B:GLU147 2.8 23.2 1.0
CD2 B:HIS140 3.0 26.3 1.0
CG B:HIS140 3.8 27.3 1.0
CB B:HIS140 4.0 23.6 1.0
NE2 B:HIS140 4.1 29.5 1.0
CA B:HIS140 4.1 22.0 1.0
O B:HIS140 4.1 22.5 1.0
OD1 B:ASP143 4.3 22.4 1.0
CG B:GLU147 4.3 23.2 1.0
C B:HIS140 4.6 21.6 1.0
CB B:GLU147 4.9 24.6 1.0

Reference:

A.M.King, D.T.King, S.French, E.Brouillette, A.Asli, J.A.Alexander, M.Vuckovic, S.N.Maiti, T.R.Parr, E.D.Brown, F.Malouin, N.C.Strynadka, G.D.Wright. Structural and Kinetic Characterization of Diazabicyclooctanes As Dual Inhibitors of Both Serine-Beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol. V. 11 864 2016.
ISSN: ESSN 1554-8937
PubMed: 26731698
DOI: 10.1021/ACSCHEMBIO.5B00944
Page generated: Tue Jul 30 17:52:26 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