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Chlorine in PDB 2b17: Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Crystal Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution:

Enzymatic activity of Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Crystal Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution:

All present enzymatic activity of Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Crystal Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution::
3.1.1.4;

Protein crystallography data

The structure of Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Crystal Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution:, PDB code: 2b17 was solved by N.Singh, T.Jabeen, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.76 / 2.71
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 53.050, 53.050, 48.430, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 21.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Crystal Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution: (pdb code 2b17). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Crystal Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution:, PDB code: 2b17:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2b17

Go back to Chlorine Binding Sites List in 2b17
Chlorine binding site 1 out of 2 in the Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Crystal Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution:


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Crystal Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution: within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:23.1
occ:1.00
 CL2 A:DIF701 0.0 23.1 1.0
C2 A:DIF701 1.7 27.9 1.0
C1 A:DIF701 2.6 28.7 1.0
C3 A:DIF701 2.8 27.6 1.0
C9 A:DIF701 3.3 26.4 1.0
N1 A:DIF701 3.5 27.3 1.0
C8 A:DIF701 3.8 28.3 1.0
C6 A:DIF701 3.9 27.3 1.0
C4 A:DIF701 4.0 27.8 1.0
O A:GLY30 4.1 46.2 1.0
C10 A:DIF701 4.3 28.7 1.0
C5 A:DIF701 4.4 27.6 1.0
CD2 A:LEU2 4.4 30.4 1.0
CA A:GLY30 4.7 41.8 1.0
CB A:SER23 4.8 24.1 1.0
C A:GLY30 4.9 45.4 1.0
O A:SER23 5.0 24.2 1.0

Chlorine binding site 2 out of 2 in 2b17

Go back to Chlorine Binding Sites List in 2b17
Chlorine binding site 2 out of 2 in the Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Crystal Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution:


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Crystal Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution: within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:23.5
occ:1.00
 CL4 A:DIF701 0.0 23.5 1.0
C4 A:DIF701 1.8 27.8 1.0
N1 A:DIF701 2.6 27.3 1.0
C3 A:DIF701 2.6 27.6 1.0
C5 A:DIF701 2.9 27.6 1.0
CD2 A:PHE5 3.5 11.9 1.0
O A:HOH755 3.7 33.4 1.0
C8 A:DIF701 3.7 28.3 1.0
CD1 A:LEU2 4.0 30.2 1.0
CB A:ALA18 4.0 24.3 1.0
C2 A:DIF701 4.0 27.9 1.0
CE2 A:PHE5 4.1 11.9 1.0
C6 A:DIF701 4.2 27.3 1.0
CG A:LEU2 4.2 30.4 1.0
CG A:PHE5 4.3 12.1 1.0
N A:GLY6 4.4 19.0 1.0
C13 A:DIF701 4.4 24.5 1.0
O A:LEU2 4.4 30.7 1.0
CB A:PHE5 4.4 16.1 1.0
C7 A:DIF701 4.5 26.7 1.0
CA A:GLY6 4.5 19.2 1.0
C1 A:DIF701 4.6 28.7 1.0
C9 A:DIF701 4.6 26.4 1.0
CD1 A:ILE9 4.7 21.5 1.0
C A:PHE5 4.9 19.1 1.0

Reference:

N.Singh, T.Jabeen, S.Sharma, R.K.Somvanshi, S.Dey, A.Srinivasan, T.P.Singh. Specific Binding of Non-Steroidal Anti-Inflammatory Drugs (Nsaids) to Phospholipase A2: Structure of the Complex Formed Between Phospholipase A2 and Diclofenac at 2.7 A Resolution. Acta Crystallogr.,Sect.D V. 62 410 2006.
ISSN: ISSN 0907-4449
PubMed: 16552142
DOI: 10.1107/S0907444906003660
Page generated: Sat Jul 20 05:30:34 2024

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