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Calcium in PDB 1mf4: Structure-Based Design of Potent and Selective Inhibitors of Phospholipase A2: Crystal Structure of the Complex Formed Between Phosholipase A2 From Naja Naja Sagittifera and A Designed Peptide Inhibitor at 1.9 A Resolution

Enzymatic activity of Structure-Based Design of Potent and Selective Inhibitors of Phospholipase A2: Crystal Structure of the Complex Formed Between Phosholipase A2 From Naja Naja Sagittifera and A Designed Peptide Inhibitor at 1.9 A Resolution

All present enzymatic activity of Structure-Based Design of Potent and Selective Inhibitors of Phospholipase A2: Crystal Structure of the Complex Formed Between Phosholipase A2 From Naja Naja Sagittifera and A Designed Peptide Inhibitor at 1.9 A Resolution:
3.1.1.4;

Protein crystallography data

The structure of Structure-Based Design of Potent and Selective Inhibitors of Phospholipase A2: Crystal Structure of the Complex Formed Between Phosholipase A2 From Naja Naja Sagittifera and A Designed Peptide Inhibitor at 1.9 A Resolution, PDB code: 1mf4 was solved by R.K.Singh, P.Vikram, M.Paramsivam, T.Jabeen, S.Sharma, J.Makker, S.Dey, P.Kaur, A.Srinivasan, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.54 / 1.90
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 42.779, 42.779, 65.866, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 23.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure-Based Design of Potent and Selective Inhibitors of Phospholipase A2: Crystal Structure of the Complex Formed Between Phosholipase A2 From Naja Naja Sagittifera and A Designed Peptide Inhibitor at 1.9 A Resolution (pdb code 1mf4). 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 Structure-Based Design of Potent and Selective Inhibitors of Phospholipase A2: Crystal Structure of the Complex Formed Between Phosholipase A2 From Naja Naja Sagittifera and A Designed Peptide Inhibitor at 1.9 A Resolution, PDB code: 1mf4:

Calcium binding site 1 out of 1 in 1mf4

Go back to Calcium Binding Sites List in 1mf4
Calcium binding site 1 out of 1 in the Structure-Based Design of Potent and Selective Inhibitors of Phospholipase A2: Crystal Structure of the Complex Formed Between Phosholipase A2 From Naja Naja Sagittifera and A Designed Peptide Inhibitor at 1.9 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure-Based Design of Potent and Selective Inhibitors of Phospholipase A2: Crystal Structure of the Complex Formed Between Phosholipase A2 From Naja Naja Sagittifera and A Designed Peptide Inhibitor at 1.9 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca201

b:50.6
occ:1.00
O A:GLY32 2.4 40.2 1.0
OD2 A:ASP49 2.5 19.6 1.0
O A:LYS31 2.6 40.5 1.0
O A:HOH244 2.6 50.4 1.0
O A:TYR28 2.8 20.6 1.0
OD1 A:ASP49 3.0 13.8 1.0
CG A:ASP49 3.0 15.6 1.0
NH1 B:ARG4 3.4 45.2 0.5
C A:GLY32 3.5 39.8 1.0
C A:LYS31 3.6 39.6 1.0
O A:HOH294 3.7 50.7 1.0
C A:TYR28 3.8 19.7 1.0
N A:GLY30 4.2 27.4 1.0
N A:GLY33 4.3 38.8 1.0
C A:GLY30 4.3 34.5 1.0
CA A:GLY33 4.3 37.2 1.0
N A:LYS31 4.3 37.0 1.0
CB A:ASP49 4.3 12.1 1.0
N A:GLY32 4.4 40.4 1.0
CA A:TYR28 4.4 18.6 1.0
CA A:LYS31 4.4 39.2 1.0
CZ B:ARG4 4.5 46.1 0.5
CA A:GLY32 4.5 40.1 1.0
O A:GLY30 4.6 36.4 1.0
CA A:GLY30 4.7 31.4 1.0
NH2 B:ARG4 4.8 44.7 0.5
N A:CYS29 4.9 20.1 1.0
C A:CYS29 4.9 24.1 1.0

Reference:

R.K.Singh, P.Vikram, J.Makker, T.Jabeen, S.Sharma, S.Dey, P.Kaur, A.Srinivasan, T.P.Singh. Design of Specific Peptide Inhibitors For Group I Phospholipase A2: Structure of A Complex Formed Between Phospholipase A2 From Naja Naja Sagittifera (Group I) and A Designed Peptide Inhibitor Val-Ala-Phe-Arg-Ser (Vafrs) at 1.9 A Resolution Reveals Unique Features Biochemistry V. 42 11701 2003.
ISSN: ISSN 0006-2960
PubMed: 14529280
DOI: 10.1021/BI035076X
Page generated: Mon Jul 7 17:18:00 2025

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