Atomistry » Fluorine » PDB 1rw8-1uda » 1td7
Atomistry »
  Fluorine »
    PDB 1rw8-1uda »
      1td7 »

Fluorine in PDB 1td7: Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution

Enzymatic activity of Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution

All present enzymatic activity of Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution:
3.1.1.4;

Protein crystallography data

The structure of Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution, PDB code: 1td7 was solved by T.Jabeen, N.Singh, R.K.Singh, S.Sharma, M.Perbandt, C.Betzel, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.50
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 42.356, 42.356, 64.958, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 24.2

Other elements in 1td7:

The structure of Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution (pdb code 1td7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution, PDB code: 1td7:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 1td7

Go back to Fluorine Binding Sites List in 1td7
Fluorine binding site 1 out of 3 in the Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:84.5
occ:1.00
F3 A:NFL2001 0.0 84.5 1.0
C15 A:NFL2001 1.3 84.0 1.0
F1 A:NFL2001 2.1 85.5 1.0
F2 A:NFL2001 2.2 85.0 1.0
C9 A:NFL2001 2.4 81.5 1.0
C10 A:NFL2001 2.8 79.8 1.0
NZ A:LYS6 3.3 39.1 1.0
C14 A:NFL2001 3.6 80.0 1.0
O A:HOH2100 3.9 36.4 1.0
CD2 A:LEU2 4.0 35.6 1.0
C11 A:NFL2001 4.2 78.6 1.0
CE A:LYS6 4.3 37.2 1.0
O A:HOH2099 4.5 54.5 1.0
C13 A:NFL2001 4.7 79.4 1.0
N1 A:NFL2001 4.8 74.5 1.0
CG A:LEU2 4.9 32.2 1.0
C12 A:NFL2001 5.0 78.8 1.0

Fluorine binding site 2 out of 3 in 1td7

Go back to Fluorine Binding Sites List in 1td7
Fluorine binding site 2 out of 3 in the Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:85.5
occ:1.00
F1 A:NFL2001 0.0 85.5 1.0
C15 A:NFL2001 1.3 84.0 1.0
F2 A:NFL2001 2.1 85.0 1.0
F3 A:NFL2001 2.1 84.5 1.0
C9 A:NFL2001 2.2 81.5 1.0
C14 A:NFL2001 2.7 80.0 1.0
O A:HOH2100 3.0 36.4 1.0
C10 A:NFL2001 3.3 79.8 1.0
C13 A:NFL2001 4.0 79.4 1.0
O A:HOH2099 4.4 54.5 1.0
C11 A:NFL2001 4.5 78.6 1.0
C12 A:NFL2001 4.7 78.8 1.0
CD2 A:LEU2 5.0 35.6 1.0

Fluorine binding site 3 out of 3 in 1td7

Go back to Fluorine Binding Sites List in 1td7
Fluorine binding site 3 out of 3 in the Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Interactions of A Specific Non-Steroidal Anti-Inflammatory Drug (Nsaid) with Group I Phospholipase A2 (PLA2): Crystal Structure of the Complex Formed Between PLA2 and Niflumic Acid at 2.5 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:85.0
occ:1.00
F2 A:NFL2001 0.0 85.0 1.0
C15 A:NFL2001 1.3 84.0 1.0
F1 A:NFL2001 2.1 85.5 1.0
F3 A:NFL2001 2.2 84.5 1.0
C9 A:NFL2001 2.4 81.5 1.0
O A:HOH2099 2.8 54.5 1.0
C14 A:NFL2001 2.9 80.0 1.0
CD2 A:LEU2 3.4 35.6 1.0
O A:HOH2100 3.6 36.4 1.0
C10 A:NFL2001 3.6 79.8 1.0
C13 A:NFL2001 4.2 79.4 1.0
NZ A:LYS6 4.7 39.1 1.0
CG A:LEU2 4.8 32.2 1.0
C11 A:NFL2001 4.8 78.6 1.0
C12 A:NFL2001 5.0 78.8 1.0

Reference:

T.Jabeen, N.Singh, R.K.Singh, S.Sharma, R.K.Somvanshi, S.Dey, T.P.Singh. Non-Steroidal Anti-Inflammatory Drugs As Potent Inhibitors of Phospholipase A2: Structure of the Complex of Phospholipase A2 with Niflumic Acid at 2.5 Angstroms Resolution. Acta Crystallogr.,Sect.D V. 61 1579 2005.
ISSN: ISSN 0907-4449
PubMed: 16301791
DOI: 10.1107/S0907444905029604
Page generated: Wed Jul 31 12:57:04 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy