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Chlorine in PDB 6yv0: Structure of the Wnt Deacylase Notum in Complex with A Pyrrolidine-3- Carboxylic Acid Fragment 587

Enzymatic activity of Structure of the Wnt Deacylase Notum in Complex with A Pyrrolidine-3- Carboxylic Acid Fragment 587

All present enzymatic activity of Structure of the Wnt Deacylase Notum in Complex with A Pyrrolidine-3- Carboxylic Acid Fragment 587:
3.1.1.98;

Protein crystallography data

The structure of Structure of the Wnt Deacylase Notum in Complex with A Pyrrolidine-3- Carboxylic Acid Fragment 587, PDB code: 6yv0 was solved by R.R.Ruza, J.Hillier, E.Y.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.61 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.440, 73.220, 78.670, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Wnt Deacylase Notum in Complex with A Pyrrolidine-3- Carboxylic Acid Fragment 587 (pdb code 6yv0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of the Wnt Deacylase Notum in Complex with A Pyrrolidine-3- Carboxylic Acid Fragment 587, PDB code: 6yv0:

Chlorine binding site 1 out of 1 in 6yv0

Go back to Chlorine Binding Sites List in 6yv0
Chlorine binding site 1 out of 1 in the Structure of the Wnt Deacylase Notum in Complex with A Pyrrolidine-3- Carboxylic Acid Fragment 587


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Wnt Deacylase Notum in Complex with A Pyrrolidine-3- Carboxylic Acid Fragment 587 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:59.2
occ:1.00
 CL A:PQT506 0.0 59.2 1.0
C3 A:PQT506 1.7 54.8 1.0
C4 A:PQT506 2.7 53.7 1.0
C2 A:PQT506 2.7 52.7 1.0
N A:PQT506 3.0 51.5 1.0
C9 A:PQT506 3.1 50.3 1.0
CB A:PRO287 3.5 51.6 1.0
CA A:PRO287 3.8 53.8 1.0
OH A:TYR129 3.9 60.9 1.0
C5 A:PQT506 4.0 53.2 1.0
C1 A:PQT506 4.0 52.8 1.0
O A:PRO287 4.2 55.8 1.0
C6 A:PQT506 4.4 52.7 1.0
C A:PRO287 4.5 54.5 1.0
C A:PQT506 4.5 53.0 1.0
CD1 A:ILE291 4.6 47.8 1.0
CE2 A:TYR129 4.6 50.8 1.0
C8 A:PQT506 4.6 50.7 1.0
CG1 A:ILE291 4.7 48.4 1.0
CG A:PHE268 4.7 38.4 1.0
CZ A:TYR129 4.7 56.0 1.0
CG1 A:VAL346 4.7 40.5 1.0
CD2 A:PHE268 4.8 40.5 1.0
CB A:PHE268 4.9 36.3 1.0
CG A:PRO287 4.9 52.1 1.0
CD1 A:PHE268 5.0 38.5 1.0

Reference:

W.Mahy, M.Patel, D.Steadman, H.Woodward, B.N.Atkinson, F.Svensson, N.J.Willis, A.Flint, D.Papatheodorou, Y.Zhao, L.Vecchia, R.R.Ruza, S.Frew, A.Monaghan, A.Costa, M.Bictash, M.Walter, E.Y.Jones, P.V.Fish. Screening of A Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1- Phenylpyrrolidines As Inhibitors of Notum Carboxylesterase Activity. To Be Published.
Page generated: Mon Jul 29 17:53:37 2024

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