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Chlorine in PDB 6dy7: WDR5 in Complex with A Win Site Inhibitor

Protein crystallography data

The structure of WDR5 in Complex with A Win Site Inhibitor, PDB code: 6dy7 was solved by J.Phan, F.Wang, S.W.Fesik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.56 / 1.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 81.162, 86.272, 40.594, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 19.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the WDR5 in Complex with A Win Site Inhibitor (pdb code 6dy7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the WDR5 in Complex with A Win Site Inhibitor, PDB code: 6dy7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6dy7

Go back to Chlorine Binding Sites List in 6dy7
Chlorine binding site 1 out of 2 in the WDR5 in Complex with A Win Site Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of WDR5 in Complex with A Win Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:47.0
occ:0.53
CL1 A:HH7401 0.0 47.0 0.5
C02 A:HH7401 1.8 57.1 1.0
C03 A:HH7401 2.9 57.9 1.0
C18 A:HH7401 2.9 58.3 1.0
O A:HOH552 3.1 50.7 1.0
O A:HOH640 3.5 37.3 1.0
CE1 A:TYR260 3.9 38.8 1.0
O A:HOH671 4.0 49.8 1.0
O A:HOH575 4.0 50.5 1.0
OH A:TYR260 4.2 40.9 1.0
C04 A:HH7401 4.3 59.1 1.0
C17 A:HH7401 4.3 56.8 1.0
CZ A:TYR260 4.5 37.5 1.0
C06 A:HH7401 4.8 56.6 1.0
CD1 A:TYR260 4.9 36.3 1.0
CD1 A:LEU321 4.9 32.5 1.0

Chlorine binding site 2 out of 2 in 6dy7

Go back to Chlorine Binding Sites List in 6dy7
Chlorine binding site 2 out of 2 in the WDR5 in Complex with A Win Site Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of WDR5 in Complex with A Win Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:38.9
occ:0.59
CL2 A:HH7401 0.0 38.9 0.6
C04 A:HH7401 1.8 59.1 1.0
C03 A:HH7401 2.9 57.9 1.0
C06 A:HH7401 2.9 56.6 1.0
O07 A:HH7401 3.1 49.8 1.0
C1 A:DMS402 3.3 48.9 0.8
CB A:SER49 3.5 28.9 1.0
CA A:SER49 3.5 26.1 1.0
O A:VAL48 3.6 33.1 1.0
CB A:ALA47 3.6 29.9 1.0
C A:VAL48 3.8 30.4 1.0
N A:SER49 3.8 28.6 1.0
CD2 A:LEU321 3.9 32.9 1.0
O A:ALA47 3.9 28.4 1.0
C A:ALA47 4.1 29.1 1.0
C02 A:HH7401 4.3 57.1 1.0
C17 A:HH7401 4.3 56.8 1.0
CA A:ALA47 4.5 33.5 1.0
C08 A:HH7401 4.5 46.0 1.0
N A:VAL48 4.5 26.2 1.0
CB A:ALA65 4.6 29.0 1.0
OG A:SER49 4.6 30.5 1.0
O A:HOH671 4.6 49.8 1.0
N A:ALA65 4.7 27.7 1.0
CA A:VAL48 4.7 26.1 1.0
C18 A:HH7401 4.8 58.3 1.0
C A:SER49 5.0 28.4 1.0

Reference:

E.R.Aho, J.Wang, R.D.Gogliotti, G.C.Howard, J.Phan, P.Acharya, J.D.Macdonald, K.Cheng, S.L.Lorey, B.Lu, S.Wenzel, A.M.Foshage, J.Alvarado, F.Wang, J.G.Shaw, B.Zhao, A.M.Weissmiller, L.R.Thomas, C.R.Vakoc, M.D.Hall, S.W.Hiebert, Q.Liu, S.R.Stauffer, S.W.Fesik, W.P.Tansey. Displacement of WDR5 From Chromatin By A Win Site Inhibitor with Picomolar Affinity. Cell Rep V. 26 2916 2019.
ISSN: ESSN 2211-1247
PubMed: 30865883
DOI: 10.1016/J.CELREP.2019.02.047
Page generated: Sat Jul 27 21:59:18 2024

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