Atomistry » Zinc » PDB 8fqx-8g45 » 8g44
Atomistry »
  Zinc »
    PDB 8fqx-8g45 »
      8g44 »

Zinc in PDB 8g44: Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid

Enzymatic activity of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid

All present enzymatic activity of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid:
3.5.1.98;

Protein crystallography data

The structure of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid, PDB code: 8g44 was solved by R.J.Harding, I.Franzoni, M.K.Mann, M.Szewczyk, B.Mirabi, D.D.G.Owens, S.Ackloo, A.Scheremetjew, K.A.Juarez-Ornelas, R.Sanichar, R.J.Baker, C.Dank, P.J.Brown, D.Barsyte-Lovejoy, V.Santhakumar, M.Schapira, M.Lautens, C.H.Arrowsmith, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.08 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 40.95, 44.43, 56.13, 90, 90, 90
R / Rfree (%) 16.4 / 19.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid (pdb code 8g44). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid, PDB code: 8g44:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 8g44

Go back to Zinc Binding Sites List in 8g44
Zinc binding site 1 out of 3 in the Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1301

b:6.9
occ:1.00
 NE2 A:HIS1164 2.1 8.1 1.0
ND1 A:HIS1170 2.1 6.2 1.0
SG A:CYS1148 2.3 8.7 1.0
SG A:CYS1145 2.3 7.8 1.0
CE1 A:HIS1170 3.0 6.7 1.0
CE1 A:HIS1164 3.0 7.5 1.0
CG A:HIS1170 3.1 6.4 1.0
CD2 A:HIS1164 3.1 7.2 1.0
CB A:CYS1145 3.2 6.8 1.0
CB A:CYS1148 3.3 8.5 1.0
CB A:HIS1170 3.5 6.2 1.0
N A:CYS1148 3.8 8.0 1.0
CA A:CYS1148 4.1 7.8 1.0
NE2 A:HIS1170 4.1 7.0 1.0
ND1 A:HIS1164 4.2 8.3 1.0
CD2 A:HIS1170 4.2 6.5 1.0
CG A:HIS1164 4.3 6.9 1.0
OG A:SER1168 4.3 7.7 1.0
CB A:SER1147 4.6 7.6 1.0
CA A:CYS1145 4.6 6.2 1.0
O A:HOH1466 4.8 21.3 1.0
C A:CYS1148 4.8 7.9 1.0
C A:SER1147 4.8 9.0 1.0
CB A:SER1168 4.8 7.7 1.0
N A:TYR1149 4.9 7.8 1.0
N A:SER1147 4.9 6.7 1.0
CA A:SER1147 5.0 7.7 1.0
CA A:HIS1170 5.0 6.2 1.0

Zinc binding site 2 out of 3 in 8g44

Go back to Zinc Binding Sites List in 8g44
Zinc binding site 2 out of 3 in the Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1302

b:7.8
occ:1.00
 ND1 A:HIS1160 2.0 9.2 1.0
SG A:CYS1136 2.3 9.1 1.0
SG A:CYS1153 2.3 7.9 1.0
SG A:CYS1133 2.4 8.1 1.0
CE1 A:HIS1160 3.0 9.4 1.0
CG A:HIS1160 3.1 8.5 1.0
CB A:CYS1133 3.3 7.4 1.0
CB A:CYS1153 3.4 7.7 1.0
CB A:CYS1136 3.4 10.0 1.0
CB A:HIS1160 3.5 7.8 1.0
N A:CYS1136 3.7 10.8 1.0
N A:CYS1153 4.0 6.6 1.0
CA A:CYS1136 4.1 10.4 1.0
CB A:ASN1158 4.1 10.1 1.0
NE2 A:HIS1160 4.1 11.0 1.0
CG2 A:THR1138 4.2 9.8 1.0
CD2 A:HIS1160 4.2 10.0 1.0
CA A:CYS1153 4.3 7.0 1.0
ND2 A:ASN1158 4.4 12.9 1.0
N A:HIS1160 4.6 7.2 1.0
CB A:ASP1135 4.6 13.2 1.0
CA A:HIS1160 4.6 7.6 1.0
CA A:CYS1133 4.7 7.9 1.0
C A:ASP1135 4.8 13.5 1.0
C A:CYS1136 4.8 9.8 1.0
CG A:ASN1158 4.9 10.8 1.0
CA A:ASN1158 5.0 9.0 1.0
N A:GLY1137 5.0 10.0 1.0

Zinc binding site 3 out of 3 in 8g44

Go back to Zinc Binding Sites List in 8g44
Zinc binding site 3 out of 3 in the Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with 3-(3-(2-(Benzylamino)-2-Oxoethyl)-4-Oxo-3,4-Dihydroquinazolin-2- Yl)Propanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1303

b:6.2
occ:1.00
 ND1 A:HIS1115 2.1 7.7 1.0
SG A:CYS1183 2.3 6.2 1.0
SG A:CYS1186 2.3 7.4 1.0
SG A:CYS1113 2.3 6.5 1.0
CE1 A:HIS1115 3.1 7.1 1.0
CG A:HIS1115 3.1 7.0 1.0
CB A:CYS1113 3.2 6.5 1.0
CB A:CYS1183 3.3 6.4 1.0
CB A:CYS1186 3.3 7.2 1.0
CB A:HIS1115 3.5 6.7 1.0
N A:CYS1186 3.9 6.8 1.0
N A:HIS1115 4.0 6.9 1.0
CD A:PRO1114 4.1 7.7 1.0
CA A:CYS1186 4.2 7.6 1.0
NE2 A:HIS1115 4.2 7.0 1.0
CD2 A:HIS1115 4.2 7.2 1.0
CA A:HIS1115 4.4 6.9 1.0
N A:PRO1114 4.4 7.3 1.0
CA A:CYS1113 4.4 6.8 1.0
CG A:PRO1114 4.5 8.5 1.0
C A:CYS1113 4.6 6.5 1.0
CB A:TYR1185 4.6 7.9 1.0
CA A:CYS1183 4.7 5.8 1.0
O A:HOH1495 4.9 14.4 1.0
C A:TYR1185 4.9 7.5 1.0
C A:PRO1114 5.0 7.1 1.0

Reference:

R.J.Harding, I.Franzoni, M.K.Mann, M.Szewczyk, B.Mirabi, D.D.G.Owens, S.Ackloo, A.Scheremetjew, K.A.Juarez-Ornelas, R.Sanichar, R.J.Baker, C.Dank, P.J.Brown, D.Barsyte-Lovejoy, V.Santhakumar, M.Schapira, M.Lautens, C.H.Arrowsmith. Discovery and Characterization of A Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6 To Be Published.
Page generated: Fri Aug 22 10:12:04 2025

Last articles

Zn in 9N5G
Zn in 9N5F
Zn in 9N6B
Zn in 9N69
Zn in 9N5E
Zn in 9N5V
Zn in 9N5U
Zn in 9N5D
Zn in 9N5C
Zn in 9N5B
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy