Atomistry » Magnesium » PDB 6bcr-6bqz » 6blf
Atomistry »
  Magnesium »
    PDB 6bcr-6bqz »
      6blf »

Magnesium in PDB 6blf: PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid

Enzymatic activity of PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid

All present enzymatic activity of PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid:
3.1.4.17;

Protein crystallography data

The structure of PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid, PDB code: 6blf was solved by H.P.Su, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.72 / 2.11
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.030, 95.830, 104.130, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 22.8

Other elements in 6blf:

The structure of PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid also contains other interesting chemical elements:

Fluorine (F) 8 atoms
Zinc (Zn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid (pdb code 6blf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid, PDB code: 6blf:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6blf

Go back to Magnesium Binding Sites List in 6blf
Magnesium binding site 1 out of 2 in the PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1002

b:17.3
occ:1.00
 O A:HOH1137 2.0 17.2 1.0
OD1 A:ASP697 2.0 15.7 1.0
O A:HOH1156 2.1 20.9 1.0
O A:HOH1102 2.1 18.8 1.0
O A:HOH1125 2.1 20.7 1.0
O A:HOH1167 2.1 17.9 1.0
CG A:ASP697 3.1 18.5 1.0
OD2 A:ASP697 3.5 17.8 1.0
ZN A:ZN1001 3.9 22.0 1.0
O A:HOH1147 4.0 20.4 1.0
NE2 A:HIS730 4.0 18.2 1.0
O A:HOH1178 4.1 29.7 1.0
OG1 A:THR768 4.1 20.0 1.0
O A:HIS696 4.1 17.3 1.0
CD2 A:HIS696 4.2 18.9 1.0
CD2 A:HIS730 4.3 18.5 1.0
OE2 A:GLU727 4.3 28.4 1.0
CB A:ASP697 4.4 15.2 1.0
CD2 A:HIS700 4.5 15.4 1.0
CB A:THR768 4.5 24.8 1.0
OD2 A:ASP808 4.5 26.9 1.0
NE2 A:HIS656 4.6 17.6 1.0
O A:THR768 4.6 22.0 1.0
CD2 A:HIS656 4.7 17.3 1.0
NE2 A:HIS696 4.7 19.7 1.0
CA A:ASP697 4.8 14.5 1.0
NE2 A:HIS700 4.8 16.0 1.0
O A:HOH1133 4.9 33.6 1.0
C A:HIS696 5.0 18.9 1.0

Magnesium binding site 2 out of 2 in 6blf

Go back to Magnesium Binding Sites List in 6blf
Magnesium binding site 2 out of 2 in the PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of PDE2 Complexed with 2-[6-Fluoro-8-Methylsulfonyl-9-[(1R)-1-[4- (Trifluoromethyl)Phenyl]Ethyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1002

b:18.8
occ:1.00
 OD1 B:ASP697 2.0 17.7 1.0
O B:HOH1111 2.1 21.9 1.0
O B:HOH1183 2.1 15.7 1.0
O B:HOH1169 2.1 24.3 1.0
O B:HOH1103 2.2 14.5 1.0
O B:HOH1121 2.3 18.4 1.0
CG B:ASP697 3.0 19.4 1.0
OD2 B:ASP697 3.4 20.8 1.0
ZN B:ZN1001 4.0 22.1 1.0
O B:HOH1176 4.0 20.6 1.0
NE2 B:HIS730 4.1 18.9 1.0
OG1 B:THR768 4.1 17.6 1.0
O B:HOH1184 4.1 25.2 1.0
OE2 B:GLU727 4.2 27.7 1.0
O B:HIS696 4.2 18.4 1.0
CD2 B:HIS730 4.3 19.6 1.0
CD2 B:HIS696 4.3 17.1 1.0
CB B:ASP697 4.4 15.4 1.0
CD2 B:HIS700 4.5 19.2 1.0
CB B:THR768 4.5 23.5 1.0
OD2 B:ASP808 4.6 28.2 1.0
NE2 B:HIS656 4.6 20.9 1.0
O B:THR768 4.7 23.1 1.0
CA B:ASP697 4.7 15.1 1.0
CD2 B:HIS656 4.7 20.8 1.0
NE2 B:HIS696 4.8 17.4 1.0
NE2 B:HIS700 4.8 19.4 1.0

Reference:

H.P.Su, H.P.Su. N/A N/A.
Page generated: Mon Sep 30 19:48:50 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy