Iodine in PDB 6ol2: Crystallography of Novel WNK1 and WNK3 Inhibitors Discovered From High-Throughput-Screening

Enzymatic activity of Crystallography of Novel WNK1 and WNK3 Inhibitors Discovered From High-Throughput-Screening

All present enzymatic activity of Crystallography of Novel WNK1 and WNK3 Inhibitors Discovered From High-Throughput-Screening:
2.7.11.1;

Protein crystallography data

The structure of Crystallography of Novel WNK1 and WNK3 Inhibitors Discovered From High-Throughput-Screening, PDB code: 6ol2 was solved by J.Chlebowicz, R.Akella, K.Sekulski, J.M.Humphreys, M.Z.Durbacz, H.He, A.Rodan, B.Posner, E.J.Goldsmith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.25 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.925, 60.204, 65.502, 90.00, 93.05, 90.00
R / Rfree (%) 20.2 / 26.8

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystallography of Novel WNK1 and WNK3 Inhibitors Discovered From High-Throughput-Screening (pdb code 6ol2). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystallography of Novel WNK1 and WNK3 Inhibitors Discovered From High-Throughput-Screening, PDB code: 6ol2:

Iodine binding site 1 out of 1 in 6ol2

Go back to Iodine Binding Sites List in 6ol2
Iodine binding site 1 out of 1 in the Crystallography of Novel WNK1 and WNK3 Inhibitors Discovered From High-Throughput-Screening


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystallography of Novel WNK1 and WNK3 Inhibitors Discovered From High-Throughput-Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I501

b:51.0
occ:0.75
I A:MU7501 0.0 51.0 0.8
C18 A:MU7501 3.2 26.5 1.0
CD1 A:LEU371 3.7 25.9 1.0
SG A:CYS250 3.7 31.1 1.0
NZ A:LYS233 3.8 32.7 1.0
C12 A:MU7501 4.0 22.7 1.0
O3 A:MU7501 4.0 19.5 1.0
CB A:CYS250 4.0 23.2 1.0
C13 A:MU7501 4.1 20.6 1.0
CD1 A:LEU299 4.1 37.0 1.0
CE A:LYS233 4.1 38.5 1.0
C17 A:MU7501 4.1 21.3 1.0
OD1 A:ASP368 4.2 30.1 1.0
CD A:LYS233 4.2 43.1 1.0
N1 A:MU7501 4.4 20.1 1.0
C10 A:MU7501 4.6 16.5 1.0
CG A:LEU299 4.9 27.7 1.0
CG A:LEU371 4.9 23.3 1.0
C11 A:MU7501 5.0 17.8 1.0
CD1 A:LEU252 5.0 27.0 1.0

Reference:

J.Chlebowicz, R.Akella, K.Sekulski, J.M.Humphreys, M.Z.Durbacz, H.He, A.Rodan, B.Posner, E.J.Goldsmith. Crystallography of Novel WNK1 and WNK3 Inhibitors Discovered From High Throughput Screening To Be Published.
Page generated: Sun Dec 13 19:47:04 2020

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