Chlorine in PDB 7r4o: Structure of Human Hydroxyacid Oxidase 1 Bound with 2-((4H-1,2,4- Triazol-3-Yl)Thio)-1-(4-(3-Chlorophenyl)Piperazin-1-Yl)Ethan-1-One

Enzymatic activity of Structure of Human Hydroxyacid Oxidase 1 Bound with 2-((4H-1,2,4- Triazol-3-Yl)Thio)-1-(4-(3-Chlorophenyl)Piperazin-1-Yl)Ethan-1-One

All present enzymatic activity of Structure of Human Hydroxyacid Oxidase 1 Bound with 2-((4H-1,2,4- Triazol-3-Yl)Thio)-1-(4-(3-Chlorophenyl)Piperazin-1-Yl)Ethan-1-One:
1.1.3.15;

Protein crystallography data

The structure of Structure of Human Hydroxyacid Oxidase 1 Bound with 2-((4H-1,2,4- Triazol-3-Yl)Thio)-1-(4-(3-Chlorophenyl)Piperazin-1-Yl)Ethan-1-One, PDB code: 7r4o was solved by S.Mackinnon, G.A.Bezerra, T.Krojer, A.R.Bradley, R.Talon, J.Brandeo-Neto, A.Douangamath, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, U.Oppermann, P.E.Brennan, W.W.Yue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.91 / 1.50
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 97.06, 97.06, 80.22, 90, 90, 90
R / Rfree (%) 16.3 / 18.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Hydroxyacid Oxidase 1 Bound with 2-((4H-1,2,4- Triazol-3-Yl)Thio)-1-(4-(3-Chlorophenyl)Piperazin-1-Yl)Ethan-1-One (pdb code 7r4o). 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 Human Hydroxyacid Oxidase 1 Bound with 2-((4H-1,2,4- Triazol-3-Yl)Thio)-1-(4-(3-Chlorophenyl)Piperazin-1-Yl)Ethan-1-One, PDB code: 7r4o:

Chlorine binding site 1 out of 1 in 7r4o

Go back to Chlorine Binding Sites List in 7r4o
Chlorine binding site 1 out of 1 in the Structure of Human Hydroxyacid Oxidase 1 Bound with 2-((4H-1,2,4- Triazol-3-Yl)Thio)-1-(4-(3-Chlorophenyl)Piperazin-1-Yl)Ethan-1-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Hydroxyacid Oxidase 1 Bound with 2-((4H-1,2,4- Triazol-3-Yl)Thio)-1-(4-(3-Chlorophenyl)Piperazin-1-Yl)Ethan-1-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:47.1
occ:1.00
 CL A:I2W401 0.0 47.1 1.0
C A:I2W401 1.7 36.9 1.0
C5 A:I2W401 2.4 42.6 1.0
C1 A:I2W401 2.8 33.0 1.0
C A:ASN185 3.3 35.6 1.0
O A:MET183 3.3 33.7 1.0
C4 A:I2W401 3.7 40.5 1.0
O A:ASN185 3.9 34.2 1.0
C2 A:I2W401 4.0 27.8 1.0
N A:ASN185 4.2 32.0 1.0
CA A:ASN185 4.3 31.4 1.0
C3 A:I2W401 4.4 33.8 1.0
C A:MET183 4.5 32.8 1.0
N A:I2W401 4.5 45.3 1.0
C9 A:I2W401 4.6 46.7 1.0
CB A:MET183 4.9 29.9 1.0
C A:LYS184 4.9 36.4 1.0
CB A:ASN185 4.9 27.3 1.0

Reference:

S.Mackinnon, G.A.Bezerra, T.Krojer, A.R.Bradley, R.Talon, J.Brandeo-Neto, A.Douangamath, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, U.Oppermann, P.E.Brennan, W.W.Yue. Structure of Human Hydroxyacid Oxidase 1 Bound with 5-Bromo-N-Methyl-1H-Indazole-3-Carboxamide To Be Published.
Page generated: Tue Jul 30 03:29:56 2024

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