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Calcium in PDB 1poe: Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate

Enzymatic activity of Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate

All present enzymatic activity of Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate:
3.1.1.4;

Protein crystallography data

The structure of Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate, PDB code: 1poe was solved by D.L.Scott, S.P.White, P.B.Sigler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.300, 76.300, 115.300, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate (pdb code 1poe). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate, PDB code: 1poe:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 1poe

Go back to Calcium Binding Sites List in 1poe
Calcium binding site 1 out of 4 in the Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca801

b:13.3
occ:1.00
 O A:GLY29 2.2 16.7 1.0
O A:HIS27 2.3 16.4 1.0
O4P A:GEL930 2.3 16.1 1.0
O A:GLY31 2.4 18.0 1.0
O2P A:GEL930 2.4 14.9 1.0
OD1 A:ASP48 2.6 14.1 1.0
OD2 A:ASP48 2.6 16.8 1.0
CG A:ASP48 3.0 13.9 1.0
C A:GLY29 3.4 16.6 1.0
C A:HIS27 3.5 16.4 1.0
C A:GLY31 3.5 18.1 1.0
N A:GLY31 3.7 17.7 1.0
P3 A:GEL930 3.7 16.3 1.0
N A:GLY29 3.8 16.2 1.0
P2 A:GEL930 3.8 14.8 1.0
C2 A:GEL930 3.9 16.4 1.0
C3 A:GEL930 3.9 16.3 1.0
O1P A:GEL930 4.2 14.6 1.0
CA A:GLY31 4.2 17.9 1.0
CA A:GLY29 4.3 16.4 1.0
O5P A:GEL930 4.3 16.5 1.0
O2 A:GEL930 4.3 15.7 1.0
O3 A:GEL930 4.3 16.3 1.0
N A:VAL30 4.4 16.9 1.0
N A:CYS28 4.4 16.2 1.0
C A:CYS28 4.4 16.1 1.0
O A:HOH523 4.4 15.4 1.0
CA A:CYS28 4.4 16.1 1.0
C A:VAL30 4.4 17.8 1.0
CA A:HIS27 4.4 16.5 1.0
O A:HOH667 4.5 24.8 1.0
CB A:ASP48 4.5 12.4 1.0
CA A:VAL30 4.5 17.4 1.0
N A:GLY32 4.7 18.6 1.0
O A:CYS44 4.7 11.4 1.0
O A:HOH521 4.8 13.5 1.0
CB A:HIS27 4.8 13.2 1.0
O3P A:GEL930 4.8 16.0 1.0
CB A:CYS44 4.9 13.4 1.0

Calcium binding site 2 out of 4 in 1poe

Go back to Calcium Binding Sites List in 1poe
Calcium binding site 2 out of 4 in the Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca803

b:18.9
occ:1.00
 O A:GLY25 2.2 17.2 1.0
OD1 A:ASN114 2.4 40.9 1.0
O A:TYR112 2.4 33.0 1.0
O A:PHE23 2.5 16.6 1.0
O A:HOH669 2.5 20.1 1.0
O A:HOH535 3.1 22.3 1.0
C A:GLY25 3.4 17.0 1.0
C A:PHE23 3.5 16.3 1.0
CG A:ASN114 3.5 37.6 1.0
C A:TYR112 3.6 32.9 1.0
N A:ASN114 4.0 34.3 1.0
CA A:PHE23 4.1 16.1 1.0
CB A:ASN114 4.1 37.2 1.0
C A:TYR24 4.2 16.5 1.0
N A:GLY25 4.2 16.6 1.0
O A:TYR24 4.2 16.4 1.0
N A:CYS26 4.3 17.4 1.0
C A:SER113 4.3 34.0 1.0
CA A:GLY25 4.3 16.8 1.0
O A:HOH666 4.4 35.6 1.0
CA A:ASN114 4.4 35.0 1.0
CB A:TYR112 4.4 32.8 1.0
CB A:PHE23 4.4 21.0 1.0
CA A:CYS26 4.4 17.4 1.0
CA A:TYR112 4.4 32.3 1.0
N A:TYR24 4.5 16.2 1.0
O A:CYS28 4.5 16.1 1.0
N A:SER113 4.5 33.5 1.0
ND2 A:ASN114 4.6 36.3 1.0
O A:HOH622 4.6 48.2 1.0
CA A:SER113 4.6 34.1 1.0
N A:TYR112 4.6 31.6 1.0
CA A:TYR24 4.8 16.4 1.0
O A:SER113 4.8 34.5 1.0
C A:CYS26 4.9 17.1 1.0
O A:HOH667 4.9 24.8 1.0

Calcium binding site 3 out of 4 in 1poe

Go back to Calcium Binding Sites List in 1poe
Calcium binding site 3 out of 4 in the Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca802

b:20.8
occ:1.00
 O B:HIS27 2.2 18.2 1.0
O B:GLY31 2.3 21.9 1.0
O4P B:GEL935 2.4 19.6 1.0
O B:GLY29 2.4 18.6 1.0
OD2 B:ASP48 2.5 11.9 1.0
O2P B:GEL935 2.5 15.7 1.0
OD1 B:ASP48 2.6 12.4 1.0
CG B:ASP48 3.0 13.3 1.0
C B:HIS27 3.4 18.2 1.0
C B:GLY31 3.5 21.7 1.0
C B:GLY29 3.6 18.6 1.0
P3 B:GEL935 3.7 19.6 1.0
N B:GLY31 3.8 20.7 1.0
N B:GLY29 3.9 18.0 1.0
P2 B:GEL935 3.9 15.7 1.0
C3 B:GEL935 4.0 18.4 1.0
C2 B:GEL935 4.1 17.9 1.0
O5P B:GEL935 4.1 20.0 1.0
CA B:GLY31 4.2 21.2 1.0
O1P B:GEL935 4.3 15.7 1.0
CA B:HIS27 4.3 18.3 1.0
N B:CYS28 4.3 17.9 1.0
O2 B:GEL935 4.4 16.9 1.0
C B:VAL30 4.4 20.5 1.0
CA B:CYS28 4.4 17.9 1.0
CA B:GLY29 4.5 18.2 1.0
C B:CYS28 4.5 17.9 1.0
CB B:ASP48 4.5 15.4 1.0
O3 B:GEL935 4.5 19.0 1.0
N B:VAL30 4.6 19.2 1.0
N B:GLY32 4.6 22.2 1.0
CA B:VAL30 4.6 19.9 1.0
O B:HOH557 4.7 43.0 1.0
O B:HOH491 4.7 22.1 1.0
O B:HOH565 4.7 23.2 1.0
CB B:HIS27 4.8 19.8 1.0
O B:CYS44 4.8 16.1 1.0
O3P B:GEL935 4.9 19.8 1.0
CA B:GLY32 4.9 22.4 1.0
CB B:CYS44 5.0 16.1 1.0

Calcium binding site 4 out of 4 in 1poe

Go back to Calcium Binding Sites List in 1poe
Calcium binding site 4 out of 4 in the Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca804

b:16.7
occ:1.00
 OD1 B:ASN114 2.2 31.2 1.0
O B:GLY25 2.2 18.4 1.0
O B:TYR112 2.4 31.8 1.0
O B:PHE23 2.5 18.4 1.0
O B:HOH563 2.7 40.6 1.0
CG B:ASN114 3.4 30.2 1.0
C B:GLY25 3.4 18.7 1.0
O B:HOH552 3.4 31.6 1.0
C B:PHE23 3.5 18.0 1.0
C B:TYR112 3.6 31.6 1.0
ND2 B:ASN114 4.1 30.2 1.0
N B:ASN114 4.1 33.7 1.0
CA B:PHE23 4.1 17.9 1.0
C B:TYR24 4.2 18.4 1.0
N B:GLY25 4.2 18.5 1.0
O B:TYR24 4.2 18.4 1.0
CB B:PHE23 4.3 19.6 1.0
N B:CYS26 4.3 18.9 1.0
CA B:GLY25 4.3 18.6 1.0
C B:SER113 4.4 33.2 1.0
CB B:TYR112 4.4 35.5 1.0
CA B:CYS26 4.4 19.1 1.0
CA B:TYR112 4.4 31.2 1.0
CB B:ASN114 4.5 32.6 1.0
N B:TYR24 4.5 18.0 1.0
CA B:ASN114 4.5 34.6 1.0
N B:SER113 4.5 32.1 1.0
O B:HOH640 4.5 38.8 1.0
CA B:SER113 4.6 32.8 1.0
O B:HOH491 4.6 22.1 1.0
N B:TYR112 4.6 30.7 1.0
O B:CYS28 4.6 17.8 1.0
CA B:TYR24 4.8 18.1 1.0
C B:CYS26 4.9 18.9 1.0
CD1 B:TYR112 4.9 43.2 1.0
O B:SER113 5.0 33.1 1.0

Reference:

D.L.Scott, S.P.White, J.L.Browning, J.J.Rosa, M.H.Gelb, P.B.Sigler. Structures of Free and Inhibited Human Secretory Phospholipase A2 From Inflammatory Exudate. Science V. 254 1007 1991.
ISSN: ISSN 0036-8075
PubMed: 1948070
Page generated: Thu Jul 11 13:50:37 2024

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