Atomistry » Sodium » PDB 8qay-8qyt » 8qtk
Atomistry »
  Sodium »
    PDB 8qay-8qyt »
      8qtk »

Sodium in PDB 8qtk: Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 31)

Protein crystallography data

The structure of Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 31), PDB code: 8qtk was solved by M.Schimpl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.48 / 1.87
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.268, 74.966, 97.56, 90, 90, 90
R / Rfree (%) 20.9 / 26.8

Other elements in 8qtk:

The structure of Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 31) also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Zinc (Zn) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 31) (pdb code 8qtk). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 31), PDB code: 8qtk:

Sodium binding site 1 out of 1 in 8qtk

Go back to Sodium Binding Sites List in 8qtk
Sodium binding site 1 out of 1 in the Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 31)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 31) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na503

b:33.0
occ:1.00
OD1 A:ASP221 2.2 32.3 1.0
OD1 A:ASN225 2.3 35.5 1.0
OE2 A:GLU232 2.3 34.5 1.0
O A:TYR227 2.5 31.9 1.0
OE1 A:GLU232 2.5 34.1 1.0
CD A:GLU232 2.7 33.9 1.0
OG1 A:THR223 2.7 32.4 1.0
O A:HOH646 2.9 35.9 1.0
CG A:ASP221 3.3 33.7 1.0
CG A:ASN225 3.3 37.1 1.0
C A:TYR227 3.5 33.2 1.0
ND2 A:ASN225 3.7 37.0 1.0
CA A:ASP221 3.8 29.7 1.0
N A:THR223 3.9 29.1 1.0
CB A:ASP221 4.0 31.4 1.0
CB A:THR223 4.0 32.3 1.0
OD2 A:ASP221 4.2 35.0 1.0
N A:ASN225 4.2 33.9 1.0
C A:ASP221 4.2 29.4 1.0
N A:TYR227 4.2 35.1 1.0
CG A:GLU232 4.2 31.4 1.0
CA A:THR223 4.3 31.1 1.0
N A:CYS224 4.3 33.4 1.0
CA A:TYR227 4.4 34.5 1.0
N A:ILE228 4.4 33.0 1.0
N A:LEU222 4.4 29.1 1.0
CA A:ILE228 4.5 33.3 1.0
C A:THR223 4.5 32.5 1.0
CB A:ASN225 4.5 35.4 1.0
CG2 A:THR223 4.6 32.6 1.0
CB A:TYR227 4.7 35.0 1.0
CA A:ASN225 4.8 34.5 1.0
N A:SER229 4.8 33.6 1.0
O A:ASP221 4.8 28.9 1.0
N A:ASP226 4.9 33.8 1.0
CD1 A:ILE228 4.9 31.7 1.0

Reference:

A.M.Mfuh, J.A.Boerth, G.Bommakanti, C.Chan, A.J.Chinn, E.Code, P.J.Fricke, K.A.Giblin, A.Gohlke, C.Hansel, N.Hariparsad, S.J.Hughes, M.Jin, V.Kantae, S.L.Kavanagh, M.L.Lamb, J.Lane, R.Moore, T.Puri, T.R.Quinn, I.Reddy, G.R.Robb, K.J.Robbins, M.Gancedo Rodrigo, M.Schimpl, B.Singh, M.Singh, H.Tang, C.Thomson, J.J.Walsh, J.Ware, I.D.G.Watson, M.W.Ye, G.L.Wrigley, A.X.Zhang, Y.Zhang, N.P.Grimster. Discovery, Optimization, and Biological Evaluation of Arylpyridones As Cbl-B Inhibitors. J.Med.Chem. 2024.
ISSN: ISSN 0022-2623
PubMed: 38227216
DOI: 10.1021/ACS.JMEDCHEM.3C02083
Page generated: Wed Oct 9 13:16:42 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy