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Calcium 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:

Fluorine (F) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium was 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:

Calcium binding site 1 out of 1 in 1td7

Go back to Calcium Binding Sites List in 1td7
Calcium binding site 1 out of 1 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 Calcium with other atoms in the Ca 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:Ca1001

b:5.1
occ:1.00
O A:GLY30 2.3 41.8 1.0
O A:HOH2029 2.3 49.4 1.0
OD2 A:ASP49 2.4 28.6 1.0
O A:GLY32 2.6 45.9 1.0
O A:TYR28 2.8 33.0 1.0
CG A:ASP49 3.0 26.8 1.0
OD1 A:ASP49 3.0 28.9 1.0
C A:GLY30 3.2 41.0 1.0
C A:LYS31 3.3 45.4 1.0
O A:LYS31 3.3 45.4 1.0
O A:HOH2098 3.4 32.1 1.0
CA A:LYS31 3.7 44.8 1.0
C A:GLY32 3.7 45.5 1.0
N A:GLY32 3.7 46.0 1.0
N A:LYS31 3.8 43.1 1.0
C A:TYR28 3.9 32.5 1.0
N A:GLY30 4.0 37.4 1.0
O A:HOH2068 4.1 42.5 1.0
CA A:GLY30 4.2 39.3 1.0
CA A:GLY32 4.3 45.7 1.0
CB A:ASP49 4.4 24.2 1.0
CA A:TYR28 4.5 32.3 1.0
OH A:TYR64 4.6 43.6 1.0
C A:CYS29 4.7 34.9 1.0
N A:GLY33 4.8 45.1 1.0
N A:CYS29 4.9 32.9 1.0
O A:HOH2085 4.9 38.8 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: Thu Jul 11 22:59:35 2024

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