Sodium in PDB 6x5l: Discovery of Hydroxy Pyrimidine Factor Ixa Inhibitors

Enzymatic activity of Discovery of Hydroxy Pyrimidine Factor Ixa Inhibitors

All present enzymatic activity of Discovery of Hydroxy Pyrimidine Factor Ixa Inhibitors:
3.4.21.22;

Protein crystallography data

The structure of Discovery of Hydroxy Pyrimidine Factor Ixa Inhibitors, PDB code: 6x5l was solved by C.L.Jayne, T.Andreani, T.Chan, M.V.Chelliah, M.C.Clasby, M.Dwyer, K.A.Eagen, S.Fried, W.J.Greenlee, Z.Guo, B.Hawes, A.Hruza, R.Ingram, K.M.Keertikar, S.Neelamkavil, P.Reichert, Y.Xia, S.Chackalamannil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.73 / 2.25
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 100.560, 100.560, 98.202, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 23.3

Sodium Binding Sites:

The binding sites of Sodium atom in the Discovery of Hydroxy Pyrimidine Factor Ixa Inhibitors (pdb code 6x5l). 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 Discovery of Hydroxy Pyrimidine Factor Ixa Inhibitors, PDB code: 6x5l:

Sodium binding site 1 out of 1 in 6x5l

Go back to Sodium Binding Sites List in 6x5l
Sodium binding site 1 out of 1 in the Discovery of Hydroxy Pyrimidine Factor Ixa Inhibitors


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Discovery of Hydroxy Pyrimidine Factor Ixa Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na302

b:69.4
occ:1.00
OE1 A:GLU70 2.2 64.4 1.0
O A:GLU75 2.3 72.3 1.0
O A:ASN72 2.4 62.0 1.0
OE1 A:GLU80 2.4 70.2 1.0
O A:HOH484 2.5 63.8 1.0
OE1 A:GLU77 2.6 75.1 1.0
H A:ASN72 3.3 80.4 0.0
H A:GLU77 3.3 99.4 0.0
H A:GLU75 3.3 0.9 0.0
CD A:GLU70 3.3 62.9 1.0
C A:GLU75 3.4 72.3 1.0
H A:HIS71 3.4 70.9 0.0
C A:ASN72 3.5 61.9 1.0
CD A:GLU80 3.5 68.2 1.0
HA A:THR76 3.5 0.7 0.0
HG2 A:GLU80 3.6 82.4 0.0
CD A:GLU77 3.6 75.5 1.0
OE2 A:GLU70 3.8 64.4 1.0
HG3 A:GLU77 3.8 1.0 0.0
HB2 A:GLU77 3.9 97.0 0.0
HA A:ILE73 3.9 90.6 0.0
HB3 A:ASN72 3.9 89.3 0.0
N A:ASN72 3.9 57.3 1.0
CG A:GLU80 4.0 59.6 1.0
N A:GLU77 4.0 68.6 1.0
HA A:GLU70 4.1 67.2 0.0
HG3 A:GLU80 4.1 81.1 0.0
CG A:GLU77 4.1 71.3 1.0
N A:GLU75 4.2 72.5 1.0
N A:THR76 4.2 71.5 1.0
CA A:ASN72 4.2 59.7 1.0
CA A:THR76 4.2 71.3 1.0
HB2 A:GLU75 4.3 0.9 0.0
CA A:GLU75 4.3 72.8 1.0
N A:ILE73 4.4 63.6 1.0
N A:HIS71 4.4 51.9 1.0
CB A:GLU77 4.4 68.4 1.0
OE2 A:GLU80 4.5 70.3 1.0
OE2 A:GLU77 4.5 78.0 1.0
C A:THR76 4.5 70.2 1.0
CA A:ILE73 4.6 66.2 1.0
CG A:GLU70 4.6 57.5 1.0
HG3 A:GLU70 4.6 75.3 0.0
CB A:ASN72 4.6 61.3 1.0
HB3 A:HIS71 4.7 74.8 0.0
H A:GLU74 4.7 100.0 0.0
C A:ILE73 4.8 68.7 1.0
CB A:GLU75 4.8 75.8 1.0
N A:GLU74 4.9 69.7 1.0
CA A:GLU77 4.9 67.3 1.0
C A:HIS71 4.9 55.3 1.0

Reference:

C.L.Jayne, T.Andreani, T.Y.Chan, M.V.Chelliah, M.C.Clasby, M.Dwyer, K.A.Eagen, S.Fried, W.J.Greenlee, Z.Guo, B.Hawes, A.Hruza, R.Ingram, K.M.Keertikar, S.Neelamkavil, P.Reichert, Y.Xia, S.Chackalamannil. Discovery of Hydroxy Pyrimidine Factor Ixa Inhibitors. Bioorg.Med.Chem.Lett. V. 30 27279 2020.
ISSN: ESSN 1464-3405
PubMed: 32527459
DOI: 10.1016/J.BMCL.2020.127279
Page generated: Tue Dec 15 15:54:54 2020

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