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Chlorine in PDB 4uzq: Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A

Enzymatic activity of Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A

All present enzymatic activity of Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A:
3.1.1.1;

Protein crystallography data

The structure of Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A, PDB code: 4uzq was solved by M.Zebisch, E.Y.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.44 / 1.50
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 50.513, 69.350, 120.967, 90.00, 92.28, 90.00
R / Rfree (%) 12.789 / 17.775

Other elements in 4uzq:

The structure of Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A (pdb code 4uzq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A, PDB code: 4uzq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4uzq

Go back to Chlorine Binding Sites List in 4uzq
Chlorine binding site 1 out of 3 in the Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A


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 O-Palmitoleoyl Serine - Crystal Form IX - 1.5A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1457

b:16.7
occ:1.00
OH A:TYR297 2.9 15.6 1.0
N A:GLU199 3.2 11.5 1.0
ND2 A:ASN198 3.3 27.1 1.0
N A:TYR200 3.4 8.6 1.0
NE A:ARG133 3.6 24.5 1.0
CZ A:TYR297 3.7 11.4 1.0
CB A:ASN198 3.8 17.7 1.0
CE1 A:TYR297 3.8 15.7 1.0
O A:HOH2265 3.8 35.4 1.0
CB A:GLU199 3.9 11.4 1.0
CA A:ASN198 3.9 18.0 1.0
CD2 A:TYR200 4.0 11.7 1.0
CA A:GLU199 4.0 10.7 1.0
CG A:ASN198 4.1 22.6 1.0
C A:ASN198 4.1 15.2 1.0
NH2 A:ARG133 4.1 31.5 1.0
CB A:TYR200 4.2 9.1 1.0
C A:GLU199 4.2 7.7 1.0
CG A:ARG133 4.2 22.2 1.0
CZ A:ARG133 4.2 36.3 1.0
CB A:ARG133 4.3 17.5 1.0
CA A:TYR200 4.3 8.4 1.0
O A:TYR200 4.3 10.6 1.0
CE2 A:PHE202 4.4 11.3 1.0
CD A:ARG133 4.4 32.4 1.0
CG A:TYR200 4.5 9.7 1.0
CZ A:PHE202 4.6 9.4 1.0
CA A:ARG133 4.8 13.6 1.0
C A:TYR200 4.8 8.4 1.0
CE2 A:TYR200 4.9 14.4 1.0
CE2 A:TYR297 4.9 11.6 1.0

Chlorine binding site 2 out of 3 in 4uzq

Go back to Chlorine Binding Sites List in 4uzq
Chlorine binding site 2 out of 3 in the Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1458

b:16.9
occ:1.00
O A:HOH2067 3.2 19.9 1.0
O A:HOH2236 3.3 27.9 1.0
ND2 A:ASN174 3.3 12.1 1.0
CA A:GLY116 3.6 17.3 1.0
OD1 A:ASN174 3.9 11.4 1.0
CG A:ASN174 4.1 9.7 1.0
C A:GLY116 4.2 16.6 1.0
N A:GLY116 4.2 17.6 1.0
O A:GLY116 4.2 14.8 1.0

Chlorine binding site 3 out of 3 in 4uzq

Go back to Chlorine Binding Sites List in 4uzq
Chlorine binding site 3 out of 3 in the Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Wnt Deacylase Notum in Complex with O-Palmitoleoyl Serine - Crystal Form IX - 1.5A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1459

b:22.3
occ:0.60
NH1 A:ARG307 0.7 9.1 0.4
CZ A:ARG307 1.8 19.1 0.4
NH2 A:ARG307 2.5 20.5 0.4
NE A:ARG307 2.9 29.8 0.4
N A:VAL302 3.3 10.1 1.0
NE A:ARG307 3.5 27.5 0.3
CA A:VAL301 3.5 10.5 1.0
CD A:ARG307 3.6 24.1 0.4
NH2 A:ARG307 3.6 12.0 0.3
CB A:VAL301 3.8 13.1 1.0
CZ A:ARG307 3.8 17.8 0.3
CG2 A:VAL302 3.9 14.1 1.0
C A:VAL301 3.9 10.9 1.0
O A:VAL302 4.0 11.9 1.0
CG1 A:VAL301 4.1 14.8 1.0
CG A:ARG307 4.1 22.3 0.4
CD A:ARG307 4.3 15.5 0.3
CA A:VAL302 4.3 9.5 1.0
O A:GLY300 4.3 12.5 1.0
CD A:ARG307 4.4 25.5 0.3
CG A:ARG307 4.5 16.2 0.3
CB A:VAL302 4.6 9.6 1.0
C A:VAL302 4.6 7.9 1.0
CG A:GLU315 4.6 18.7 1.0
N A:VAL301 4.7 9.7 1.0
CG A:ARG307 4.9 22.5 0.3
NH1 A:ARG307 4.9 14.5 0.3
C A:GLY300 5.0 9.1 1.0
CB A:ARG307 5.0 13.8 0.3
O A:HOH2169 5.0 48.5 1.0

Reference:

S.Kakugawa, P.F.Langton, M.Zebisch, S.A.Howell, T.-H.Chang, Y.Liu, T.Feizi, G.Bineva, N.O'reilly, A.P.Snijders, E.Y.Jones, J.-P.Vincent. Notum Deacylates Wnt Proteins to Suppress Signalling Activity Nature 2015.
ISSN: ESSN 1476-4687
DOI: 10.1038/NATURE14259
Page generated: Sat Dec 12 11:16:42 2020

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