Atomistry » Chlorine » PDB 5z42-5zkn » 5zj9
Atomistry »
  Chlorine »
    PDB 5z42-5zkn »
      5zj9 »

Chlorine in PDB 5zj9: Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid

Enzymatic activity of Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid

All present enzymatic activity of Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid:
1.4.3.3;

Protein crystallography data

The structure of Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid, PDB code: 5zj9 was solved by Y.Kato, N.Hin, N.Maita, A.G.Thomas, S.Kurosawa, C.Rojas, K.Yorita, B.S.Slusher, K.Fukui, T.Tsukamoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.15 / 2.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 150.140, 182.730, 51.100, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 25.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid (pdb code 5zj9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid, PDB code: 5zj9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5zj9

Go back to Chlorine Binding Sites List in 5zj9
Chlorine binding site 1 out of 4 in the Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:33.3
occ:1.00
 CL1 A:9E6402 0.0 33.3 1.0
C5 A:9E6402 1.8 33.6 1.0
C4 A:9E6402 2.9 33.2 1.0
S1 A:9E6402 3.1 33.1 1.0
O A:LEU51 3.2 37.8 1.0
N3 A:FAD401 3.3 34.7 1.0
O A:GLN53 3.3 40.8 1.0
O A:HOH503 3.4 37.7 1.0
C4 A:FAD401 3.5 36.0 1.0
O4 A:FAD401 3.5 36.3 1.0
OH A:TYR224 3.7 37.6 1.0
N A:GLN53 3.9 34.7 1.0
CB A:GLN53 3.9 34.9 1.0
O A:GLY313 4.0 38.9 1.0
C2 A:FAD401 4.0 36.2 1.0
C A:LEU51 4.1 34.8 1.0
C2 A:9E6402 4.1 36.0 1.0
OG1 A:THR317 4.2 36.3 1.0
C A:GLN53 4.2 41.2 1.0
CA A:GLN53 4.2 40.6 1.0
CB A:LEU51 4.2 27.8 1.0
C7 A:9E6402 4.3 33.0 1.0
CZ A:TYR224 4.4 39.0 1.0
C4X A:FAD401 4.4 35.3 1.0
O2 A:FAD401 4.4 30.6 1.0
CG A:LEU51 4.4 30.2 1.0
CD2 A:LEU51 4.5 31.4 1.0
CA A:LEU51 4.6 31.8 1.0
C A:TRP52 4.7 31.4 1.0
N1 A:FAD401 4.8 37.9 1.0
N A:LEU51 4.9 25.4 1.0
N A:TRP52 5.0 33.0 1.0
CE2 A:TYR224 5.0 35.7 1.0

Chlorine binding site 2 out of 4 in 5zj9

Go back to Chlorine Binding Sites List in 5zj9
Chlorine binding site 2 out of 4 in the Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:30.2
occ:1.00
 CL1 B:9E6402 0.0 30.2 1.0
C5 B:9E6402 1.8 29.8 1.0
C4 B:9E6402 2.9 28.5 1.0
O B:LEU51 3.1 31.1 1.0
S1 B:9E6402 3.1 26.8 1.0
N3 B:FAD401 3.2 25.0 1.0
O4 B:FAD401 3.3 29.9 1.0
C4 B:FAD401 3.3 28.3 1.0
O B:HOH514 3.5 31.3 1.0
O B:GLN53 3.5 30.8 1.0
OH B:TYR224 3.6 37.2 1.0
N B:GLN53 3.9 37.6 1.0
C2 B:FAD401 4.0 25.8 1.0
C B:LEU51 4.0 31.4 1.0
O B:GLY313 4.0 28.5 1.0
C2 B:9E6402 4.1 30.1 1.0
CB B:GLN53 4.1 29.5 1.0
OG1 B:THR317 4.2 31.4 1.0
C4X B:FAD401 4.2 30.0 1.0
CB B:LEU51 4.2 27.6 1.0
C B:GLN53 4.3 37.9 1.0
C7 B:9E6402 4.3 30.2 1.0
CA B:GLN53 4.3 32.5 1.0
CZ B:TYR224 4.4 32.9 1.0
O2 B:FAD401 4.4 26.6 1.0
CD2 B:LEU51 4.5 27.0 1.0
CG B:LEU51 4.5 28.1 1.0
CA B:LEU51 4.6 30.3 1.0
C B:TRP52 4.7 34.7 1.0
N1 B:FAD401 4.7 24.8 1.0
N B:LEU51 4.8 31.5 1.0
C10 B:FAD401 4.8 24.8 1.0
N B:TRP52 4.9 33.1 1.0
CE2 B:TYR224 4.9 34.7 1.0
N5 B:FAD401 4.9 26.8 1.0

Chlorine binding site 3 out of 4 in 5zj9

Go back to Chlorine Binding Sites List in 5zj9
Chlorine binding site 3 out of 4 in the Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:21.1
occ:1.00
 CL1 C:9E6402 0.0 21.1 1.0
C5 C:9E6402 1.8 25.5 1.0
C4 C:9E6402 2.9 24.3 1.0
O C:LEU51 3.1 25.1 1.0
S1 C:9E6402 3.1 26.9 1.0
N3 C:FAD401 3.3 22.3 1.0
O4 C:FAD401 3.4 25.0 1.0
O C:GLN53 3.4 25.2 1.0
OH C:TYR224 3.5 31.0 1.0
C4 C:FAD401 3.5 23.1 1.0
N C:GLN53 3.8 25.7 1.0
C C:LEU51 3.9 25.7 1.0
CB C:GLN53 4.0 26.6 1.0
CB C:LEU51 4.0 18.9 1.0
C2 C:9E6402 4.1 27.4 1.0
C2 C:FAD401 4.1 23.4 1.0
O C:GLY313 4.1 26.5 1.0
CD2 C:LEU51 4.2 23.9 1.0
OG1 C:THR317 4.2 27.6 1.0
CA C:GLN53 4.2 28.4 1.0
C C:GLN53 4.3 28.1 1.0
CZ C:TYR224 4.3 21.9 1.0
C7 C:9E6402 4.3 27.0 1.0
C4X C:FAD401 4.4 23.1 1.0
CA C:LEU51 4.5 23.0 1.0
CG C:LEU51 4.5 23.9 1.0
O2 C:FAD401 4.5 23.7 1.0
C C:TRP52 4.6 25.5 1.0
N C:TRP52 4.8 24.9 1.0
N C:LEU51 4.8 18.2 1.0
CE2 C:TYR224 4.8 24.1 1.0
N1 C:FAD401 4.9 27.4 1.0

Chlorine binding site 4 out of 4 in 5zj9

Go back to Chlorine Binding Sites List in 5zj9
Chlorine binding site 4 out of 4 in the Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human D-Amino Acid Oxidase Complexed with 5-Chlorothiophene-3- Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:25.1
occ:1.00
 CL1 D:9E6402 0.0 25.1 1.0
C5 D:9E6402 1.8 27.9 1.0
C4 D:9E6402 2.9 27.5 1.0
O D:LEU51 3.1 34.5 1.0
S1 D:9E6402 3.1 28.7 1.0
O D:GLN53 3.2 35.1 1.0
N3 D:FAD401 3.3 26.0 1.0
O4 D:FAD401 3.4 27.1 1.0
O D:HOH507 3.4 33.6 1.0
C4 D:FAD401 3.4 31.7 1.0
OH D:TYR224 3.5 34.4 1.0
N D:GLN53 3.8 33.4 1.0
CB D:GLN53 4.0 26.8 1.0
C D:LEU51 4.0 30.8 1.0
O D:GLY313 4.0 31.6 1.0
C2 D:9E6402 4.1 29.5 1.0
C2 D:FAD401 4.1 26.3 1.0
C D:GLN53 4.1 32.1 1.0
CA D:GLN53 4.2 28.3 1.0
OG1 D:THR317 4.2 32.9 1.0
CB D:LEU51 4.2 23.1 1.0
CZ D:TYR224 4.3 28.7 1.0
C7 D:9E6402 4.3 34.3 1.0
C4X D:FAD401 4.4 30.4 1.0
CD2 D:LEU51 4.4 29.0 1.0
CG D:LEU51 4.4 27.3 1.0
O2 D:FAD401 4.6 26.8 1.0
CA D:LEU51 4.6 30.0 1.0
C D:TRP52 4.7 29.3 1.0
CE2 D:TYR224 4.9 30.2 1.0
N D:LEU51 4.9 27.4 1.0
N D:TRP52 4.9 26.1 1.0
N1 D:FAD401 4.9 28.1 1.0

Reference:

Y.Kato, N.Hin, N.Maita, A.G.Thomas, S.Kurosawa, C.Rojas, K.Yorita, B.S.Slusher, K.Fukui, T.Tsukamoto. Structural Basis For Potent Inhibition of D-Amino Acid Oxidase By Thiophene Carboxylic Acids Eur J Med Chem V. 159 23 2018.
ISSN: ISSN 1768-3254
PubMed: 30265959
DOI: 10.1016/J.EJMECH.2018.09.040
Page generated: Fri Jul 26 21:44:57 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy