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Sodium in PDB 2wap: 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845

Enzymatic activity of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845

All present enzymatic activity of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845:
3.5.1.4;

Protein crystallography data

The structure of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845, PDB code: 2wap was solved by M.Mileni, S.Kamtekar, R.C.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.01 / 2.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 102.770, 105.200, 148.030, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 23.2

Other elements in 2wap:

The structure of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 (pdb code 2wap). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845, PDB code: 2wap:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in 2wap

Go back to Sodium Binding Sites List in 2wap
Sodium binding site 1 out of 3 in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1576

b:27.9
occ:1.00
 OE2 A:GLU373 3.1 33.9 1.0
OE1 A:GLU373 3.2 32.8 1.0
CD A:GLU373 3.6 33.2 1.0
CB A:PRO427 4.3 36.0 1.0
O A:PRO427 4.4 35.6 1.0
C A:PRO427 4.6 35.7 1.0
CE2 A:PHE527 4.7 36.5 1.0
N A:ARG428 4.8 35.4 1.0

Sodium binding site 2 out of 3 in 2wap

Go back to Sodium Binding Sites List in 2wap
Sodium binding site 2 out of 3 in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na1575

b:31.5
occ:1.00
 OE1 B:GLU373 3.0 31.6 1.0
OE2 B:GLU373 3.4 32.0 1.0
CD B:GLU373 3.6 32.5 1.0
CB B:PRO427 3.9 36.1 1.0
C B:PRO427 4.2 35.6 1.0
O B:PRO427 4.2 35.5 1.0
N B:ARG428 4.3 35.3 1.0
CE2 B:PHE527 4.4 34.4 1.0
CA B:ARG428 4.5 35.3 1.0
CG B:ARG428 4.5 35.2 1.0
CA B:PRO427 4.7 36.1 1.0
CG B:PRO427 4.8 36.0 1.0
CZ B:PHE527 4.8 34.5 1.0

Sodium binding site 3 out of 3 in 2wap

Go back to Sodium Binding Sites List in 2wap
Sodium binding site 3 out of 3 in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na1576

b:29.4
occ:1.00
 ND2 B:ASN435 3.4 29.8 1.0
ND2 B:ASN434 3.5 36.0 1.0
CA B:ALA431 3.8 34.1 1.0
CB B:ALA431 4.0 34.0 1.0
CB B:ASN434 4.2 33.9 1.0
O B:HOH2017 4.3 24.8 1.0
O B:ALA431 4.3 34.1 1.0
CG B:ASN434 4.3 34.3 1.0
CG B:ASN435 4.5 32.5 1.0
C B:ALA431 4.6 34.1 1.0
OD1 B:ASN435 4.7 31.7 1.0
N B:ALA431 4.8 34.0 1.0

Reference:

K.Ahn, D.S.Johnson, M.Mileni, D.Beidler, J.Z.Long, M.K.Mckinney, E.Weerapana, N.Sadagopan, M.Liimatta, S.E.Smith, S.Lazerwith, C.Stiff, S.Kamtekar, K.Bhattacharya, Y.Zhang, S.Swaney, K.Vanbecelaere, R.C.Stevens, B.F.Cravatt. Discovery and Characterization of A Highly Selective Faah Inhibitor That Reduces Inflammatory Pain. Chem.Biol. V. 16 411 2009.
ISSN: ISSN 1074-5521
PubMed: 19389627
DOI: 10.1016/J.CHEMBIOL.2009.02.013
Page generated: Mon Oct 7 04:35:34 2024

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