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

Zinc in PDB 5sjz: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide, PDB code: 5sjz was solved by C.Joseph, J.Benz, A.Flohr, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.48 / 2.19
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.161, 135.161, 235.97, 90, 90, 120
R / Rfree (%) 17 / 22.6

Other elements in 5sjz:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide 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- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide (pdb code 5sjz). 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- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide, PDB code: 5sjz:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sjz

Go back to Zinc Binding Sites List in 5sjz
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide


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- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:39.4
occ:1.00
 OD2 A:ASP564 2.0 46.3 1.0
O A:HOH970 2.2 31.1 1.0
NE2 A:HIS563 2.2 29.8 1.0
NE2 A:HIS529 2.2 39.5 1.0
OD1 A:ASP674 2.2 40.1 1.0
O A:HOH965 2.4 38.5 1.0
CD2 A:HIS563 3.1 30.4 1.0
CG A:ASP564 3.1 39.1 1.0
CG A:ASP674 3.1 40.0 1.0
CD2 A:HIS529 3.1 38.4 1.0
CE1 A:HIS529 3.2 38.2 1.0
CE1 A:HIS563 3.2 36.8 1.0
OD2 A:ASP674 3.4 44.2 1.0
OD1 A:ASP564 3.6 37.2 1.0
MG A:MG802 3.8 35.6 1.0
CD2 A:HIS525 4.1 43.4 1.0
O A:HOH983 4.1 32.7 1.0
CG A:HIS563 4.2 34.0 1.0
ND1 A:HIS529 4.3 36.0 1.0
CG A:HIS529 4.3 34.3 1.0
O A:HOH914 4.3 34.7 1.0
CB A:ASP564 4.3 37.0 1.0
ND1 A:HIS563 4.3 31.9 1.0
NE2 A:HIS525 4.4 36.2 1.0
CB A:ASP674 4.5 37.1 1.0
O A:HOH942 4.5 30.8 1.0
O A:HOH949 4.8 50.6 1.0
CG2 A:VAL533 4.8 31.7 1.0
O A:ASP674 4.9 33.9 1.0
CA A:ASP674 4.9 32.8 1.0

Zinc binding site 2 out of 4 in 5sjz

Go back to Zinc Binding Sites List in 5sjz
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide


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- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:38.6
occ:1.00
 NE2 B:HIS563 2.1 29.9 1.0
OD2 B:ASP564 2.1 36.8 1.0
O B:HOH947 2.1 28.5 1.0
NE2 B:HIS529 2.2 30.2 1.0
OD1 B:ASP674 2.3 34.5 1.0
O B:HOH989 2.6 41.8 1.0
CD2 B:HIS529 3.1 36.2 1.0
CD2 B:HIS563 3.1 32.0 1.0
CG B:ASP674 3.1 34.9 1.0
CE1 B:HIS563 3.1 34.1 1.0
CG B:ASP564 3.2 32.0 1.0
CE1 B:HIS529 3.2 35.6 1.0
OD2 B:ASP674 3.3 35.2 1.0
OD1 B:ASP564 3.6 37.2 1.0
MG B:MG802 3.7 32.3 1.0
O B:HOH996 4.0 29.8 1.0
CD2 B:HIS525 4.1 37.2 1.0
CG B:HIS563 4.2 31.1 1.0
ND1 B:HIS563 4.2 33.2 1.0
O B:HOH924 4.3 32.3 1.0
CG B:HIS529 4.3 34.7 1.0
ND1 B:HIS529 4.3 32.3 1.0
CB B:ASP564 4.3 30.6 1.0
NE2 B:HIS525 4.4 35.9 1.0
CB B:ASP674 4.5 34.3 1.0
O B:HOH944 4.5 35.0 1.0
O B:HOH1006 4.7 47.1 1.0
CG2 B:VAL533 4.7 28.4 1.0
O B:ASP674 4.9 31.8 1.0
CA B:ASP674 4.9 30.5 1.0

Zinc binding site 3 out of 4 in 5sjz

Go back to Zinc Binding Sites List in 5sjz
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide


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- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:40.9
occ:1.00
 OD2 C:ASP564 2.1 37.4 1.0
O C:HOH951 2.2 26.0 1.0
NE2 C:HIS529 2.2 32.9 1.0
OD1 C:ASP674 2.2 36.0 1.0
NE2 C:HIS563 2.3 35.3 1.0
O C:HOH978 2.6 41.6 1.0
CG C:ASP674 3.0 32.8 1.0
CD2 C:HIS563 3.1 33.1 1.0
CD2 C:HIS529 3.1 32.5 1.0
CG C:ASP564 3.1 34.8 1.0
OD2 C:ASP674 3.2 37.1 1.0
CE1 C:HIS529 3.2 33.2 1.0
CE1 C:HIS563 3.4 36.2 1.0
OD1 C:ASP564 3.6 35.4 1.0
MG C:MG802 3.9 31.6 1.0
CD2 C:HIS525 4.1 38.1 1.0
O C:HOH968 4.1 28.6 1.0
CG C:HIS529 4.2 33.0 1.0
CG C:HIS563 4.3 32.8 1.0
ND1 C:HIS529 4.3 31.1 1.0
CB C:ASP564 4.4 28.0 1.0
O C:HOH964 4.4 38.5 1.0
ND1 C:HIS563 4.4 32.9 1.0
NE2 C:HIS525 4.4 40.6 1.0
CB C:ASP674 4.4 32.5 1.0
O C:HOH927 4.6 33.7 1.0
O C:HOH991 4.7 45.9 1.0
CG2 C:VAL533 4.8 34.5 1.0
CA C:ASP674 4.8 35.0 1.0
O C:HOH952 4.9 31.4 1.0
O C:ASP674 5.0 38.4 1.0

Zinc binding site 4 out of 4 in 5sjz

Go back to Zinc Binding Sites List in 5sjz
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide


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- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Pyrrolidin-1-Yl-[1,2, 4]Triazolo[1,5-A]Pyridin-7-Yl)Pyrazole-3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:48.4
occ:1.00
 O D:HOH942 2.0 34.2 1.0
OD2 D:ASP564 2.1 55.1 1.0
NE2 D:HIS563 2.1 36.6 1.0
NE2 D:HIS529 2.2 44.0 1.0
OD1 D:ASP674 2.3 45.7 1.0
O D:HOH943 2.6 44.3 1.0
CD2 D:HIS563 3.0 38.8 1.0
CD2 D:HIS529 3.1 49.8 1.0
CG D:ASP564 3.2 42.8 1.0
CE1 D:HIS563 3.2 43.8 1.0
CG D:ASP674 3.2 38.3 1.0
CE1 D:HIS529 3.3 45.8 1.0
OD2 D:ASP674 3.5 48.2 1.0
OD1 D:ASP564 3.7 44.1 1.0
MG D:MG802 3.8 41.8 1.0
O D:HOH952 4.0 48.0 1.0
CD2 D:HIS525 4.1 46.4 1.0
CG D:HIS563 4.2 40.6 1.0
ND1 D:HIS563 4.3 39.8 1.0
O D:HOH911 4.3 44.6 1.0
CG D:HIS529 4.3 41.4 1.0
CB D:ASP564 4.3 43.2 1.0
ND1 D:HIS529 4.3 44.2 1.0
O D:HOH907 4.5 44.2 1.0
NE2 D:HIS525 4.5 50.2 1.0
CB D:ASP674 4.5 41.0 1.0
CG2 D:VAL533 4.7 44.1 1.0
O D:ASP674 4.8 47.1 1.0
CA D:ASP674 4.9 40.2 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 06:10:02 2024

Last articles

F in 5AGJ
F in 5AGI
F in 5AE1
F in 5AE2
F in 5AEG
F in 5ADZ
F in 5ACC
F in 5ACX
F in 5ABG
F in 5AAB
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy