Calcium in PDB 5w7e: Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine

Enzymatic activity of Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine

All present enzymatic activity of Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine:
3.1.1.77;

Protein crystallography data

The structure of Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine, PDB code: 5w7e was solved by A.Gorelik, K.Illes, B.Nagar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.07 / 1.83
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.425, 85.373, 93.398, 90.00, 103.64, 90.00
R / Rfree (%) 15.7 / 19.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine (pdb code 5w7e). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine, PDB code: 5w7e:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 5w7e

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Calcium binding site 1 out of 6 in the Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca601

b:17.6
occ:1.00
OD2 A:ASP183 2.2 18.1 1.0
OD1 A:ASP207 2.3 24.0 1.0
OD1 A:ASP187 2.3 17.2 1.0
OD2 A:ASP204 2.3 19.0 1.0
O A:HIS189 2.3 15.1 1.0
OD1 A:ASP185 2.3 20.4 1.0
CG A:ASP187 3.2 19.2 1.0
H A:ASP187 3.2 24.6 1.0
CG A:ASP185 3.3 24.7 1.0
H A:HIS189 3.3 16.7 1.0
HA A:ASP207 3.4 27.0 1.0
CG A:ASP204 3.5 21.1 1.0
CG A:ASP183 3.5 17.6 1.0
CG A:ASP207 3.5 22.2 1.0
C A:HIS189 3.5 15.5 1.0
OD2 A:ASP187 3.6 19.7 1.0
OD2 A:ASP185 3.6 25.0 1.0
HB2 A:ASP204 3.6 20.8 1.0
HA A:ASP183 3.7 22.2 1.0
H A:ASP185 3.7 28.6 1.0
HB2 A:HIS189 3.9 16.6 1.0
CB A:ASP204 4.0 17.4 1.0
N A:ASP187 4.0 20.5 1.0
N A:HIS189 4.0 13.9 1.0
CA A:CA602 4.1 20.1 1.0
H A:SER186 4.1 34.1 1.0
HB3 A:ASP204 4.1 20.8 1.0
HA A:SER190 4.1 18.2 1.0
CA A:ASP207 4.2 22.5 1.0
CA A:HIS189 4.2 13.2 1.0
OD1 A:ASP183 4.3 16.7 1.0
CB A:ASP207 4.3 21.4 1.0
CA A:ASP183 4.3 18.5 1.0
H A:LYS188 4.3 23.3 0.5
H A:LYS188 4.3 23.3 0.5
CB A:ASP187 4.4 18.4 1.0
N A:ASP185 4.4 23.9 1.0
OD2 A:ASP207 4.4 19.9 1.0
N A:SER186 4.4 28.4 1.0
CB A:ASP183 4.4 16.9 1.0
HB2 A:ASP207 4.5 25.7 1.0
OD1 A:ASP204 4.5 20.0 1.0
CB A:HIS189 4.5 13.8 1.0
H A:VAL184 4.5 25.2 1.0
CA A:ASP187 4.6 17.5 1.0
N A:SER190 4.6 14.2 1.0
CB A:ASP185 4.6 25.5 1.0
C A:ASP183 4.6 21.9 1.0
N A:LYS188 4.6 19.4 1.0
HB2 A:ASP183 4.7 20.3 1.0
C A:ASP185 4.7 25.9 1.0
N A:VAL184 4.7 21.0 1.0
C A:ASP187 4.7 16.7 1.0
O A:ASP207 4.7 24.6 1.0
HB3 A:ASP187 4.8 22.1 1.0
CA A:ASP185 4.8 25.2 1.0
CA A:SER190 4.8 15.1 1.0
C A:ASP207 4.9 25.5 1.0
HB3 A:HIS189 4.9 16.6 1.0
HB3 A:ASP185 5.0 30.6 1.0

Calcium binding site 2 out of 6 in 5w7e

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Calcium binding site 2 out of 6 in the Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca602

b:20.1
occ:1.00
OD2 A:ASP187 2.2 19.7 1.0
O A:VAL212 2.3 21.5 1.0
O A:ASN206 2.3 23.9 1.0
OD2 A:ASP185 2.3 25.0 1.0
O A:ASP209 2.5 24.7 1.0
OD2 A:ASP204 2.5 19.0 1.0
OD1 A:ASP204 2.6 20.0 1.0
CG A:ASP204 2.9 21.1 1.0
HA A:ASP207 3.3 27.0 1.0
CG A:ASP187 3.4 19.2 1.0
C A:ASN206 3.4 23.8 1.0
CG A:ASP185 3.4 24.7 1.0
C A:VAL212 3.5 22.0 1.0
H A:ASP209 3.5 36.9 1.0
HB A:VAL212 3.5 30.5 1.0
C A:ASP209 3.5 27.3 1.0
H A:VAL212 3.7 29.7 1.0
HB3 A:TYR213 3.7 21.5 1.0
HA A:LYS210 3.7 32.9 1.0
OD1 A:ASP185 3.8 20.4 1.0
H A:ASN206 3.8 28.7 1.0
OD1 A:ASP187 3.9 17.2 1.0
CA A:ASP207 4.0 22.5 1.0
CA A:CA601 4.1 17.6 1.0
HB3 A:ASN206 4.1 32.5 1.0
N A:ASP207 4.1 23.2 1.0
HG12 A:VAL212 4.2 29.6 1.0
CA A:VAL212 4.2 24.2 1.0
CB A:VAL212 4.2 25.4 1.0
N A:ASP209 4.2 30.8 1.0
HB3 A:ASP209 4.2 34.7 1.0
N A:VAL212 4.3 24.8 1.0
N A:LYS210 4.4 26.0 1.0
CB A:ASP204 4.4 17.4 1.0
HD2 A:TYR213 4.4 24.2 1.0
CA A:ASN206 4.4 25.5 1.0
CA A:LYS210 4.4 27.4 1.0
CA A:ASP209 4.4 28.5 1.0
HA A:TYR213 4.4 22.5 1.0
HB3 A:ASP187 4.5 22.1 1.0
N A:ASN206 4.5 23.9 1.0
N A:TYR213 4.5 20.8 1.0
CB A:TYR213 4.6 17.9 1.0
CB A:ASP187 4.6 18.4 1.0
C A:ASP207 4.6 25.5 1.0
CB A:ASP185 4.7 25.5 1.0
CG1 A:VAL212 4.7 24.6 1.0
HB2 A:ASP204 4.7 20.8 1.0
CA A:TYR213 4.7 18.8 1.0
CB A:ASN206 4.7 27.1 1.0
HB3 A:ASP204 4.8 20.8 1.0
HB2 A:ASP185 4.8 30.6 1.0
C A:LYS210 4.8 24.6 1.0
HB3 A:ASP185 4.8 30.6 1.0
CB A:ASP209 4.9 28.9 1.0
H A:SER208 4.9 33.5 1.0
HA A:ASP204 4.9 20.4 1.0
N A:SER208 4.9 27.9 1.0
HB2 A:ASP187 4.9 22.1 1.0
OD1 A:ASP207 4.9 24.0 1.0
H A:ASP207 4.9 27.9 1.0
HB2 A:HIS189 4.9 16.6 1.0

Calcium binding site 3 out of 6 in 5w7e

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Calcium binding site 3 out of 6 in the Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca603

b:19.2
occ:1.00
OD2 A:ASP226 2.2 24.7 1.0
OE2 A:GLU244 2.2 27.8 1.0
OD2 A:ASP222 2.3 27.5 1.0
O A:ILE232 2.3 28.0 1.0
OD1 A:ASN228 2.3 22.7 1.0
OD1 A:ASN230 2.4 22.0 1.0
CG A:ASN230 3.3 21.7 1.0
H A:ILE232 3.3 29.0 1.0
CD A:GLU244 3.4 28.1 1.0
HD21 A:ASN230 3.4 27.6 1.0
CG A:ASP226 3.4 24.9 1.0
CG A:ASN228 3.4 23.8 1.0
CG A:ASP222 3.5 29.6 1.0
HA A:ASP226 3.5 33.8 1.0
H A:ASN228 3.5 31.4 1.0
C A:ILE232 3.5 28.3 1.0
HB A:ILE232 3.5 30.0 1.0
H A:ASN230 3.6 23.3 1.0
HD21 A:ASN228 3.6 29.6 1.0
ND2 A:ASN230 3.7 23.0 1.0
HB3 A:ASP222 3.9 37.4 1.0
ND2 A:ASN228 3.9 24.6 1.0
HB3 A:TRP233 3.9 37.5 1.0
OE1 A:GLU244 3.9 29.3 1.0
N A:ILE232 4.0 24.1 1.0
HB2 A:ASP222 4.0 37.4 1.0
HB2 A:GLU244 4.0 36.6 1.0
CB A:ASP222 4.1 31.2 1.0
CA A:ILE232 4.1 25.8 1.0
CA A:ASP226 4.2 28.2 1.0
OD1 A:ASP226 4.2 23.6 1.0
CB A:ILE232 4.3 25.0 1.0
CB A:ASP226 4.3 27.0 1.0
HB3 A:PRO218 4.3 44.9 1.0
N A:ASN228 4.3 26.1 1.0
H A:SER227 4.3 33.0 1.0
N A:ASN230 4.3 19.4 1.0
H A:CYS229 4.4 25.8 1.0
H A:GLY231 4.4 26.2 1.0
OD1 A:ASP222 4.5 29.8 1.0
HB2 A:ASP226 4.5 32.4 1.0
HD22 A:ASN230 4.5 27.6 1.0
C A:ASP226 4.5 27.0 1.0
CB A:ASN230 4.5 18.6 1.0
HA A:TRP233 4.5 37.7 1.0
N A:SER227 4.6 27.5 1.0
CG A:GLU244 4.6 31.2 1.0
N A:TRP233 4.6 29.5 1.0
HG22 A:ILE232 4.6 32.1 1.0
N A:CYS229 4.7 21.5 1.0
N A:GLY231 4.7 21.8 1.0
CB A:ASN228 4.7 21.5 1.0
CB A:GLU244 4.8 30.5 1.0
CB A:TRP233 4.8 31.2 1.0
HD22 A:ASN228 4.8 29.6 1.0
CA A:ASN230 4.8 18.6 1.0
CA A:ASN228 4.8 22.8 1.0
C A:ASN228 4.8 22.2 1.0
HG2 A:GLU244 4.8 37.5 1.0
C A:ASN230 4.9 21.1 1.0
HB3 A:ASN230 4.9 22.3 1.0
CA A:TRP233 4.9 31.4 1.0
HG A:SER227 4.9 36.5 1.0

Calcium binding site 4 out of 6 in 5w7e

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Calcium binding site 4 out of 6 in the Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca601

b:19.0
occ:1.00
OD1 B:ASP187 2.2 20.1 1.0
OD1 B:ASP207 2.3 27.0 1.0
OD1 B:ASP183 2.3 22.2 1.0
OD1 B:ASP185 2.3 21.5 1.0
OD2 B:ASP204 2.3 22.0 1.0
O B:HIS189 2.3 15.9 1.0
CG B:ASP185 3.2 25.3 1.0
CG B:ASP187 3.2 24.1 1.0
H B:ASP187 3.3 27.8 1.0
HA B:ASP207 3.4 34.9 1.0
CG B:ASP207 3.4 28.0 1.0
HA B:ASP183 3.4 25.5 1.0
OD2 B:ASP185 3.5 26.9 1.0
H B:HIS189 3.5 21.7 1.0
CG B:ASP204 3.5 20.5 1.0
C B:HIS189 3.5 18.9 1.0
CG B:ASP183 3.5 20.2 1.0
H B:ASP185 3.6 30.7 1.0
HB2 B:ASP204 3.7 24.2 1.0
OD2 B:ASP187 3.7 26.1 1.0
CB B:ASP204 4.0 20.2 1.0
HA B:SER190 4.0 21.3 1.0
HB3 B:ASP204 4.0 24.2 1.0
HB2 B:HIS189 4.1 22.9 1.0
N B:HIS189 4.1 18.1 1.0
N B:ASP187 4.1 23.2 1.0
CA B:ASP183 4.1 21.3 1.0
CA B:CA602 4.2 24.1 1.0
CA B:ASP207 4.2 29.1 1.0
CB B:ASP207 4.2 30.8 1.0
H B:SER186 4.2 30.9 1.0
HB2 B:ASP207 4.3 36.9 1.0
H B:VAL184 4.3 32.3 1.0
CA B:HIS189 4.3 17.7 1.0
H B:LYS188 4.3 18.0 1.0
OD2 B:ASP207 4.3 26.9 1.0
N B:ASP185 4.3 25.6 1.0
CB B:ASP183 4.4 20.3 1.0
C B:ASP183 4.4 24.1 1.0
OD2 B:ASP183 4.4 19.5 1.0
CB B:ASP187 4.5 19.5 1.0
N B:VAL184 4.5 26.9 1.0
N B:SER190 4.5 15.4 1.0
N B:SER186 4.5 25.8 1.0
OD1 B:ASP204 4.5 21.5 1.0
CB B:ASP185 4.5 24.1 1.0
HB2 B:ASP183 4.6 24.4 1.0
N B:LYS188 4.6 15.0 1.0
CA B:ASP187 4.7 17.5 1.0
CB B:HIS189 4.7 19.1 1.0
CA B:SER190 4.7 17.8 1.0
O B:ASP207 4.7 33.0 1.0
CA B:ASP185 4.8 23.1 1.0
C B:ASP185 4.8 25.1 1.0
C B:ASP187 4.9 15.3 1.0
HB3 B:ASP187 4.9 23.4 1.0
C B:ASP207 4.9 33.5 1.0
O B:HOH884 5.0 28.5 1.0
HB3 B:ASP185 5.0 28.9 1.0

Calcium binding site 5 out of 6 in 5w7e

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Calcium binding site 5 out of 6 in the Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca602

b:24.1
occ:1.00
O B:VAL212 2.3 22.7 1.0
O B:ASN206 2.3 24.4 1.0
OD2 B:ASP187 2.3 26.1 1.0
OD2 B:ASP185 2.4 26.9 1.0
O B:ASP209 2.5 25.4 1.0
OD2 B:ASP204 2.5 22.0 1.0
OD1 B:ASP204 2.5 21.5 1.0
CG B:ASP204 2.9 20.5 1.0
HA B:ASP207 3.2 34.9 1.0
CG B:ASP187 3.4 24.1 1.0
C B:ASN206 3.4 26.8 1.0
H B:ASP209 3.4 42.2 1.0
CG B:ASP185 3.4 25.3 1.0
C B:VAL212 3.4 23.8 1.0
C B:ASP209 3.5 29.6 1.0
HB B:VAL212 3.5 34.3 1.0
H B:VAL212 3.7 32.6 1.0
HA B:LYS210 3.7 35.8 1.0
HB3 B:TYR213 3.8 25.2 1.0
H B:ASN206 3.8 33.2 1.0
OD1 B:ASP187 3.8 20.1 1.0
OD1 B:ASP185 3.9 21.5 1.0
CA B:ASP207 4.0 29.1 1.0
HB3 B:ASP209 4.1 39.5 1.0
N B:ASP207 4.1 29.1 1.0
HB3 B:ASN206 4.1 43.6 1.0
CA B:CA601 4.2 19.0 1.0
N B:ASP209 4.2 35.2 1.0
CA B:VAL212 4.2 26.4 1.0
CB B:VAL212 4.3 28.6 1.0
N B:VAL212 4.3 27.2 1.0
CA B:ASP209 4.3 32.4 1.0
N B:LYS210 4.4 28.1 1.0
CB B:ASP204 4.4 20.2 1.0
HG12 B:VAL212 4.4 32.9 1.0
CA B:LYS210 4.4 29.8 1.0
CA B:ASN206 4.4 29.4 1.0
HA B:TYR213 4.5 24.8 1.0
HB3 B:ASP187 4.5 23.4 1.0
N B:ASN206 4.5 27.7 1.0
N B:TYR213 4.5 23.8 1.0
HD2 B:TYR213 4.5 32.6 1.0
CB B:ASP187 4.6 19.5 1.0
C B:ASP207 4.6 33.5 1.0
CB B:TYR213 4.7 21.0 1.0
CB B:ASP185 4.7 24.1 1.0
CB B:ASP209 4.7 32.9 1.0
HB2 B:ASP204 4.7 24.2 1.0
HB2 B:ASP185 4.7 28.9 1.0
CB B:ASN206 4.8 36.4 1.0
CA B:TYR213 4.8 20.7 1.0
H B:SER208 4.8 44.3 1.0
HB3 B:ASP185 4.8 28.9 1.0
C B:LYS210 4.8 29.0 1.0
HB3 B:ASP204 4.8 24.2 1.0
N B:SER208 4.8 36.9 1.0
CG1 B:VAL212 4.9 27.4 1.0
HA B:ASP204 4.9 27.8 1.0
HB2 B:ASP187 4.9 23.4 1.0
H B:ASP207 4.9 35.0 1.0
OD1 B:ASP207 5.0 27.0 1.0
HB2 B:HIS189 5.0 22.9 1.0

Calcium binding site 6 out of 6 in 5w7e

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Calcium binding site 6 out of 6 in the Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Murine Acyloxyacyl Hydrolase (Aoah), S262A Mutant, with Dimyristoyl Phosphatidylcholine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca603

b:23.5
occ:1.00
OD2 B:ASP226 2.2 30.4 1.0
OE2 B:GLU244 2.3 32.8 1.0
OD1 B:ASN228 2.3 29.4 1.0
O B:ILE232 2.3 34.5 1.0
OD1 B:ASN230 2.4 28.1 1.0
OD2 B:ASP222 2.4 33.7 1.0
H B:ILE232 3.3 37.2 1.0
CG B:ASN230 3.3 27.5 1.0
CG B:ASP226 3.4 30.3 1.0
HD21 B:ASN230 3.4 33.9 1.0
CG B:ASN228 3.4 28.2 1.0
HB B:ILE232 3.4 39.4 1.0
CD B:GLU244 3.4 32.9 1.0
C B:ILE232 3.5 35.2 1.0
CG B:ASP222 3.5 36.0 1.0
HA B:ASP226 3.5 42.0 1.0
H B:ASN228 3.5 35.7 1.0
H B:ASN230 3.6 28.9 1.0
HD21 B:ASN228 3.7 33.3 1.0
ND2 B:ASN230 3.7 28.2 1.0
HB2 B:ASP222 3.8 46.1 1.0
HB3 B:ASP222 3.8 46.1 1.0
N B:ILE232 3.9 31.0 1.0
ND2 B:ASN228 4.0 27.7 1.0
CB B:ASP222 4.0 38.5 1.0
OE1 B:GLU244 4.0 32.5 1.0
HB3 B:TRP233 4.0 46.8 1.0
CA B:ILE232 4.0 33.4 1.0
HB2 B:GLU244 4.1 45.4 1.0
OD1 B:ASP226 4.2 28.7 1.0
CB B:ILE232 4.2 32.8 1.0
CA B:ASP226 4.2 35.0 1.0
H B:SER227 4.2 39.0 1.0
N B:ASN230 4.3 24.1 1.0
CB B:ASP226 4.3 32.4 1.0
HB3 B:PRO218 4.3 46.6 1.0
N B:ASN228 4.4 29.8 1.0
H B:CYS229 4.4 33.4 1.0
H B:GLY231 4.4 31.8 1.0
HD22 B:ASN230 4.5 33.9 1.0
HA B:TRP233 4.5 47.7 1.0
N B:SER227 4.5 32.5 1.0
C B:ASP226 4.5 31.9 1.0
CB B:ASN230 4.5 23.8 1.0
OD1 B:ASP222 4.6 36.3 1.0
HB2 B:ASP226 4.6 38.9 1.0
N B:TRP233 4.6 37.7 1.0
HG22 B:ILE232 4.6 42.5 1.0
N B:GLY231 4.6 26.5 1.0
N B:CYS229 4.6 27.8 1.0
CG B:GLU244 4.6 36.1 1.0
CB B:ASN228 4.7 25.7 1.0
CA B:ASN230 4.8 23.5 1.0
C B:ASN228 4.8 27.8 1.0
HD22 B:ASN228 4.8 33.3 1.0
C B:ASN230 4.8 26.0 1.0
CA B:ASN228 4.8 28.0 1.0
CB B:GLU244 4.8 37.8 1.0
CB B:TRP233 4.8 39.0 1.0
CA B:TRP233 4.9 39.7 1.0
HB3 B:ASN230 4.9 28.6 1.0
HG B:SER227 4.9 43.3 1.0
C B:GLY231 4.9 32.3 1.0
HG2 B:GLU244 5.0 43.4 1.0
HA B:ILE232 5.0 40.0 1.0
CG2 B:ILE232 5.0 35.4 1.0

Reference:

A.Gorelik, K.Illes, B.Nagar. Crystal Structure of the Mammalian Lipopolysaccharide Detoxifier. Proc. Natl. Acad. Sci. V. 115 E896 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29343645
DOI: 10.1073/PNAS.1719834115
Page generated: Sat Dec 12 05:48:34 2020

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