Atomistry » Zinc » PDB 5sja-5skd » 5sjb
Atomistry »
  Zinc »
    PDB 5sja-5skd »
      5sjb »

Zinc in PDB 5sjb: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline, PDB code: 5sjb was solved by C.Joseph, J.Benz, A.Flohr, A.Krasso, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.60 / 2.20
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.538, 135.538, 235.689, 90, 90, 120
R / Rfree (%) 18.7 / 23.3

Other elements in 5sjb:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline (pdb code 5sjb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline, PDB code: 5sjb:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sjb

Go back to Zinc Binding Sites List in 5sjb
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:23.3
occ:1.00
 NE2 A:HIS563 2.0 18.1 1.0
OD2 A:ASP564 2.1 19.8 1.0
NE2 A:HIS529 2.1 21.2 1.0
O A:HOH913 2.2 20.9 1.0
OD1 A:ASP674 2.2 21.7 1.0
O A:HOH1015 2.4 30.9 1.0
CD2 A:HIS563 3.0 17.7 1.0
CE1 A:HIS563 3.0 19.4 1.0
CG A:ASP674 3.0 23.1 1.0
CG A:ASP564 3.1 18.6 1.0
CE1 A:HIS529 3.1 21.6 1.0
CD2 A:HIS529 3.1 21.4 1.0
OD2 A:ASP674 3.2 30.1 1.0
OD1 A:ASP564 3.6 18.0 1.0
MG A:MG802 3.7 17.6 1.0
O A:HOH1022 4.1 16.8 1.0
CG A:HIS563 4.1 18.2 1.0
ND1 A:HIS563 4.1 19.2 1.0
CD2 A:HIS525 4.2 24.1 1.0
ND1 A:HIS529 4.2 21.0 1.0
CB A:ASP564 4.2 19.0 1.0
O A:HOH976 4.3 31.8 1.0
CG A:HIS529 4.3 21.0 1.0
CB A:ASP674 4.4 22.2 1.0
NE2 A:HIS525 4.5 24.2 1.0
O A:HOH961 4.7 14.6 1.0
CG2 A:VAL533 4.7 17.3 1.0
CA A:ASP674 4.8 21.1 1.0
O A:ASP674 4.9 21.7 1.0

Zinc binding site 2 out of 4 in 5sjb

Go back to Zinc Binding Sites List in 5sjb
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:24.8
occ:1.00
 NE2 B:HIS563 2.0 16.2 1.0
OD2 B:ASP564 2.1 17.6 1.0
O B:HOH940 2.2 17.4 1.0
OD1 B:ASP674 2.2 22.2 1.0
NE2 B:HIS529 2.2 18.7 1.0
O B:HOH1004 2.3 32.0 1.0
CD2 B:HIS563 3.0 16.5 1.0
CG B:ASP674 3.0 22.7 1.0
CE1 B:HIS563 3.0 17.1 1.0
CG B:ASP564 3.1 17.6 1.0
CD2 B:HIS529 3.1 18.6 1.0
OD2 B:ASP674 3.2 23.4 1.0
CE1 B:HIS529 3.2 19.8 1.0
OD1 B:ASP564 3.5 16.5 1.0
MG B:MG802 3.8 13.7 1.0
O B:HOH982 4.0 15.4 1.0
CD2 B:HIS525 4.1 22.4 1.0
CG B:HIS563 4.1 16.2 1.0
ND1 B:HIS563 4.1 16.5 1.0
O B:HOH1002 4.2 31.4 1.0
CB B:ASP564 4.2 17.1 1.0
CG B:HIS529 4.3 19.7 1.0
ND1 B:HIS529 4.3 19.9 1.0
CB B:ASP674 4.4 22.3 1.0
NE2 B:HIS525 4.4 22.1 1.0
O B:HOH929 4.6 15.5 1.0
CG2 B:VAL533 4.7 18.5 1.0
CA B:ASP674 4.9 21.6 1.0
O B:ASP674 4.9 20.0 1.0

Zinc binding site 3 out of 4 in 5sjb

Go back to Zinc Binding Sites List in 5sjb
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:26.6
occ:1.00
 NE2 C:HIS563 2.1 18.8 1.0
O C:HOH959 2.1 18.3 1.0
OD2 C:ASP564 2.1 21.2 1.0
OD1 C:ASP674 2.1 21.8 1.0
NE2 C:HIS529 2.1 20.8 1.0
O C:HOH1027 2.3 31.5 1.0
CD2 C:HIS563 3.0 17.4 1.0
CG C:ASP674 3.0 23.9 1.0
CD2 C:HIS529 3.1 20.9 1.0
CG C:ASP564 3.1 20.1 1.0
CE1 C:HIS563 3.1 19.1 1.0
CE1 C:HIS529 3.2 21.3 1.0
OD2 C:ASP674 3.3 25.7 1.0
OD1 C:ASP564 3.6 19.4 1.0
MG C:MG802 3.9 20.6 1.0
O C:HOH1032 4.1 20.5 1.0
CG C:HIS563 4.2 18.2 1.0
CD2 C:HIS525 4.2 25.8 1.0
ND1 C:HIS563 4.2 17.3 1.0
CG C:HIS529 4.2 20.8 1.0
CB C:ASP564 4.3 19.2 1.0
ND1 C:HIS529 4.3 19.8 1.0
O C:HOH1020 4.4 42.3 1.0
CB C:ASP674 4.4 25.2 1.0
O C:HOH940 4.5 15.3 1.0
O C:HOH1050 4.5 51.2 1.0
NE2 C:HIS525 4.6 24.9 1.0
CG2 C:VAL533 4.7 18.2 1.0
CA C:ASP674 4.8 24.4 1.0
O C:ASP674 4.9 25.9 1.0

Zinc binding site 4 out of 4 in 5sjb

Go back to Zinc Binding Sites List in 5sjb
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Methoxy-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-3H-Imidazo[4,5- F]Quinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:33.8
occ:1.00
 NE2 D:HIS563 2.0 24.2 1.0
NE2 D:HIS529 2.1 32.2 1.0
O D:HOH937 2.1 25.4 1.0
O D:HOH967 2.2 38.4 1.0
OD2 D:ASP564 2.2 34.5 1.0
OD1 D:ASP674 2.3 31.8 1.0
CD2 D:HIS563 3.0 24.2 1.0
CE1 D:HIS563 3.1 26.3 1.0
CG D:ASP564 3.1 27.7 1.0
CG D:ASP674 3.1 32.4 1.0
CD2 D:HIS529 3.1 33.0 1.0
CE1 D:HIS529 3.1 33.9 1.0
OD2 D:ASP674 3.3 33.3 1.0
OD1 D:ASP564 3.6 26.6 1.0
MG D:MG802 3.8 28.3 1.0
O D:HOH989 4.1 30.3 1.0
O D:HOH971 4.1 46.7 1.0
CG D:HIS563 4.1 23.9 1.0
CD2 D:HIS525 4.2 33.0 1.0
ND1 D:HIS563 4.2 23.9 1.0
ND1 D:HIS529 4.2 31.9 1.0
CB D:ASP564 4.3 27.6 1.0
CG D:HIS529 4.3 31.1 1.0
O D:HOH947 4.5 22.9 1.0
CB D:ASP674 4.5 32.3 1.0
NE2 D:HIS525 4.6 32.7 1.0
CG2 D:VAL533 4.7 30.6 1.0
O D:ASP674 4.8 36.5 1.0
CA D:ASP674 4.9 31.4 1.0

Reference:

A.Flohr, D.Schlatter, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human Phosphodiesterase 10 Complex To Be Published.
Page generated: Mon Oct 28 05:58:45 2024

Last articles

Mg in 7VB7
Mg in 7VB5
Mg in 7VB3
Mg in 7VB4
Mg in 7V8I
Mg in 7V6K
Mg in 7V5C
Mg in 7V3M
Mg in 7V3C
Mg in 7V3B
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy