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Calcium in PDB 5dei: Benzoylformate Decarboxylase From Pseudomonas Putida

Enzymatic activity of Benzoylformate Decarboxylase From Pseudomonas Putida

All present enzymatic activity of Benzoylformate Decarboxylase From Pseudomonas Putida:
4.1.1.7;

Protein crystallography data

The structure of Benzoylformate Decarboxylase From Pseudomonas Putida, PDB code: 5dei was solved by A.K.Bera, M.S.Hasson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.41 / 1.30
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 70.166, 92.451, 93.715, 63.59, 72.42, 72.88
R / Rfree (%) 13.6 / 14.8

Other elements in 5dei:

The structure of Benzoylformate Decarboxylase From Pseudomonas Putida also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Benzoylformate Decarboxylase From Pseudomonas Putida (pdb code 5dei). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Benzoylformate Decarboxylase From Pseudomonas Putida, PDB code: 5dei:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 5dei

Go back to Calcium Binding Sites List in 5dei
Calcium binding site 1 out of 6 in the Benzoylformate Decarboxylase From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Benzoylformate Decarboxylase From Pseudomonas Putida within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca606

b:26.0
occ:1.00
H A:ASP188 2.3 18.8 1.0
HE D:ARG185 2.4 31.3 1.0
HH21 D:ARG185 3.0 31.6 1.0
O D:HOH902 3.1 23.3 1.0
HA A:ASN187 3.1 16.5 1.0
HB2 A:ASN187 3.1 19.9 1.0
N A:ASP188 3.2 15.7 1.0
NE D:ARG185 3.2 26.1 1.0
HB2 A:ASP188 3.3 22.4 1.0
O A:HOH1123 3.3 24.9 1.0
HG2 D:ARG185 3.4 23.7 1.0
CG A:ASP188 3.7 27.6 1.0
NH2 D:ARG185 3.8 26.4 1.0
CA A:ASN187 3.8 13.8 1.0
CB A:ASP188 3.8 18.6 1.0
CB A:ASN187 3.8 16.6 1.0
OD2 A:ASP188 3.9 35.1 1.0
CZ D:ARG185 4.0 21.6 1.0
C A:ASN187 4.0 14.5 1.0
HB2 D:ALA325 4.1 21.4 1.0
CG D:ARG185 4.1 19.8 1.0
CA A:ASP188 4.1 15.6 1.0
HG3 D:ARG185 4.1 23.7 1.0
OD1 A:ASP188 4.1 23.5 0.6
HB3 A:ASN187 4.2 19.9 1.0
CD D:ARG185 4.2 25.5 1.0
HH12 A:ARG185 4.4 23.9 1.0
O D:HOH774 4.4 39.5 1.0
HH22 D:ARG185 4.5 31.6 1.0
H A:GLN189 4.6 21.2 1.0
HD21 A:ASN187 4.6 20.5 1.0
HA A:ASP188 4.7 18.8 1.0
HB3 A:ASP188 4.7 22.4 1.0
HB1 D:ALA321 4.8 19.9 1.0
HD3 D:ARG185 4.8 30.6 1.0
O A:HOH1280 4.8 35.9 1.0
NH1 A:ARG185 4.8 19.9 1.0
HD2 D:ARG185 4.9 30.6 1.0
HH11 A:ARG185 4.9 23.9 1.0
CB D:ALA325 5.0 17.8 1.0

Calcium binding site 2 out of 6 in 5dei

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Calcium binding site 2 out of 6 in the Benzoylformate Decarboxylase From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Benzoylformate Decarboxylase From Pseudomonas Putida within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca607

b:13.4
occ:1.00
O21 A:TDP602 2.2 12.3 1.0
O A:THR458 2.3 14.3 1.0
O12 A:TDP602 2.3 12.2 1.0
O A:HOH752 2.3 15.0 1.0
OD1 A:ASP429 2.3 14.8 1.0
OD1 A:ASN456 2.3 13.3 1.0
H A:THR458 3.2 17.0 1.0
CG A:ASN456 3.3 21.7 1.0
H A:GLY460 3.4 16.5 1.0
CG A:ASP429 3.4 16.5 1.0
P1 A:TDP602 3.4 12.4 1.0
C A:THR458 3.5 14.7 1.0
HD21 A:ASN456 3.5 35.3 1.0
P2 A:TDP602 3.5 12.8 1.0
H A:ASN456 3.5 16.5 1.0
O11 A:TDP602 3.6 12.2 1.0
H A:ASP429 3.6 14.7 1.0
H A:GLY430 3.6 14.1 1.0
ND2 A:ASN456 3.8 29.4 1.0
OD2 A:ASP429 3.9 17.5 1.0
N A:THR458 4.0 14.2 1.0
HA A:TYR459 4.0 14.6 1.0
HG23 A:THR458 4.1 19.5 1.0
O5G A:TDP602 4.1 12.9 1.0
N A:GLY460 4.2 13.7 1.0
N A:ASP429 4.2 12.2 1.0
HG22 A:THR458 4.3 19.5 1.0
O22 A:TDP602 4.3 13.4 1.0
O A:MET454 4.3 13.2 1.0
N A:ASN456 4.3 13.8 1.0
H A:GLY457 4.3 18.4 1.0
HA3 A:GLY428 4.3 16.0 1.0
CA A:THR458 4.3 14.7 1.0
N A:GLY430 4.4 11.8 1.0
N A:TYR459 4.4 13.1 1.0
O A:HOH757 4.5 14.4 1.0
CB A:ASN456 4.6 18.7 1.0
N A:GLY457 4.6 15.3 1.0
O23 A:TDP602 4.6 13.7 1.0
CA A:TYR459 4.6 12.2 1.0
HD22 A:ASN456 4.6 35.3 1.0
O13 A:TDP602 4.6 13.2 1.0
CG2 A:THR458 4.6 16.2 1.0
CB A:ASP429 4.7 13.1 1.0
HA3 A:GLY460 4.7 17.1 1.0
HA2 A:GLY428 4.7 16.0 1.0
CA A:ASN456 4.7 15.6 1.0
C A:ASN456 4.7 16.9 1.0
CA A:ASP429 4.9 13.3 1.0
HA A:ASN455 4.9 15.2 1.0
CA A:GLY428 4.9 13.3 1.0
C A:GLY428 4.9 11.9 1.0
HA3 A:GLY430 5.0 14.5 1.0
C A:TYR459 5.0 14.6 1.0
HB3 A:ASP429 5.0 15.8 1.0

Calcium binding site 3 out of 6 in 5dei

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Calcium binding site 3 out of 6 in the Benzoylformate Decarboxylase From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Benzoylformate Decarboxylase From Pseudomonas Putida within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca607

b:13.1
occ:1.00
O B:HOH763 2.3 14.7 1.0
O B:THR458 2.3 13.8 1.0
O23 B:TDP602 2.3 12.1 1.0
OD1 B:ASP429 2.3 14.4 1.0
O13 B:TDP602 2.3 12.3 1.0
OD1 B:ASN456 2.3 14.2 1.0
H B:THR458 3.2 16.3 1.0
CG B:ASN456 3.3 20.3 1.0
HD21 B:ASN456 3.4 30.6 1.0
CG B:ASP429 3.4 15.6 1.0
H B:GLY460 3.4 15.2 1.0
P1 B:TDP602 3.4 12.1 1.0
C B:THR458 3.5 13.6 1.0
P2 B:TDP602 3.5 12.3 1.0
H B:ASN456 3.5 17.4 1.0
H B:GLY430 3.6 14.0 1.0
H B:ASP429 3.6 15.2 1.0
O11 B:TDP602 3.6 11.8 1.0
ND2 B:ASN456 3.7 25.5 1.0
OD2 B:ASP429 3.9 17.8 1.0
N B:THR458 4.0 13.6 1.0
HA B:TYR459 4.0 14.8 1.0
HG23 B:THR458 4.1 18.9 1.0
O5G B:TDP602 4.2 11.9 1.0
HG22 B:THR458 4.2 18.9 1.0
N B:ASP429 4.2 12.7 1.0
N B:GLY460 4.2 12.7 1.0
O22 B:TDP602 4.3 13.5 1.0
O B:MET454 4.3 12.7 1.0
H B:GLY457 4.3 17.3 1.0
HA3 B:GLY428 4.3 15.1 1.0
N B:ASN456 4.3 14.5 1.0
CA B:THR458 4.3 12.7 1.0
O B:HOH711 4.4 37.6 1.0
N B:GLY430 4.4 11.6 1.0
N B:TYR459 4.5 12.8 1.0
O B:HOH765 4.5 15.1 1.0
CB B:ASN456 4.5 17.1 1.0
HD22 B:ASN456 4.5 30.6 1.0
N B:GLY457 4.6 14.4 1.0
CG2 B:THR458 4.6 15.8 1.0
O21 B:TDP602 4.6 13.2 1.0
CA B:TYR459 4.6 12.3 1.0
CB B:ASP429 4.6 14.6 1.0
O12 B:TDP602 4.7 13.2 1.0
HA2 B:GLY428 4.7 15.1 1.0
CA B:ASN456 4.7 15.8 1.0
HA3 B:GLY460 4.7 14.8 1.0
C B:ASN456 4.7 16.6 1.0
HA B:ASN455 4.8 15.7 1.0
CA B:ASP429 4.8 13.1 1.0
CA B:GLY428 4.9 12.6 1.0
HA3 B:GLY430 4.9 15.0 1.0
HB3 B:ASN456 4.9 20.5 1.0
C B:GLY428 4.9 11.9 1.0
C B:TYR459 5.0 12.1 1.0
HB3 B:ASP429 5.0 17.6 1.0

Calcium binding site 4 out of 6 in 5dei

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Calcium binding site 4 out of 6 in the Benzoylformate Decarboxylase From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Benzoylformate Decarboxylase From Pseudomonas Putida within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca608

b:25.8
occ:1.00
HE C:ARG185 2.3 32.0 1.0
H B:ASP188 2.4 21.2 1.0
HH21 C:ARG185 2.9 37.8 1.0
O C:HOH848 3.1 23.2 1.0
HA B:ASN187 3.1 18.8 1.0
HB2 B:ASN187 3.2 21.3 1.0
NE C:ARG185 3.2 26.6 1.0
N B:ASP188 3.2 17.7 1.0
HB2 B:ASP188 3.3 23.2 1.0
HG2 C:ARG185 3.4 23.8 1.0
O B:HOH1108 3.4 24.7 1.0
NH2 C:ARG185 3.6 31.5 1.0
CG B:ASP188 3.7 28.1 1.0
CA B:ASN187 3.8 15.7 1.0
CZ C:ARG185 3.8 24.6 1.0
CB B:ASN187 3.9 17.7 1.0
CB B:ASP188 3.9 19.4 1.0
OD2 B:ASP188 3.9 32.1 1.0
C B:ASN187 4.0 16.1 1.0
CG C:ARG185 4.0 19.8 1.0
OD1 B:ASP188 4.1 30.3 1.0
HB2 C:ALA325 4.1 24.4 1.0
HG3 C:ARG185 4.1 23.8 1.0
CA B:ASP188 4.2 17.6 1.0
CD C:ARG185 4.2 26.0 1.0
HB3 B:ASN187 4.2 21.3 1.0
HH12 B:ARG185 4.4 25.0 1.0
HH22 C:ARG185 4.4 37.8 1.0
O C:HOH751 4.5 42.3 1.0
H B:GLN189 4.6 22.0 1.0
HA B:ASP188 4.7 21.2 1.0
HD3 C:ARG185 4.8 31.2 1.0
HB1 C:ALA321 4.8 19.5 1.0
HD2 C:ARG185 4.8 31.2 1.0
HB3 B:ASP188 4.8 23.2 1.0
NH1 B:ARG185 4.8 20.8 1.0
O C:HOH1261 4.8 37.3 1.0
HH11 B:ARG185 4.9 25.0 1.0
CB C:ALA325 5.0 20.3 1.0

Calcium binding site 5 out of 6 in 5dei

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Calcium binding site 5 out of 6 in the Benzoylformate Decarboxylase From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Benzoylformate Decarboxylase From Pseudomonas Putida within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca603

b:14.0
occ:1.00
O12 C:TDP602 2.3 12.9 1.0
O22 C:TDP602 2.3 13.6 1.0
OD1 C:ASP429 2.3 15.3 1.0
O C:THR458 2.3 13.5 1.0
O C:HOH743 2.3 14.4 1.0
OD1 C:ASN456 2.3 15.0 1.0
H C:THR458 3.3 17.0 1.0
CG C:ASN456 3.3 18.8 1.0
P1 C:TDP602 3.4 12.3 1.0
H C:GLY460 3.4 14.8 1.0
CG C:ASP429 3.4 15.7 1.0
HD21 C:ASN456 3.4 32.9 1.0
P2 C:TDP602 3.5 12.2 1.0
C C:THR458 3.5 13.0 1.0
H C:GLY430 3.5 14.0 1.0
H C:ASN456 3.5 17.5 1.0
H C:ASP429 3.6 15.1 1.0
O11 C:TDP602 3.6 11.9 1.0
ND2 C:ASN456 3.7 27.4 1.0
OD2 C:ASP429 4.0 17.2 1.0
N C:THR458 4.0 14.2 1.0
HA C:TYR459 4.0 15.3 1.0
O5G C:TDP602 4.1 12.1 1.0
N C:ASP429 4.2 12.6 1.0
N C:GLY460 4.2 12.3 1.0
HG23 C:THR458 4.2 18.6 1.0
HA3 C:GLY428 4.3 14.5 1.0
O21 C:TDP602 4.3 13.2 1.0
O C:MET454 4.3 14.0 1.0
N C:GLY430 4.3 11.7 1.0
HG22 C:THR458 4.3 18.6 1.0
N C:ASN456 4.3 14.6 1.0
CA C:THR458 4.4 13.7 1.0
H C:GLY457 4.4 18.2 1.0
N C:TYR459 4.5 12.0 1.0
O C:HOH761 4.5 14.5 1.0
CB C:ASN456 4.5 18.3 1.0
HD22 C:ASN456 4.6 32.9 1.0
O13 C:TDP602 4.6 12.3 1.0
CA C:TYR459 4.6 12.8 1.0
O23 C:TDP602 4.6 13.0 1.0
CB C:ASP429 4.6 13.3 1.0
HA2 C:GLY428 4.6 14.5 1.0
N C:GLY457 4.6 15.1 1.0
CG2 C:THR458 4.7 15.5 1.0
CA C:ASN456 4.7 15.7 1.0
HA3 C:GLY460 4.8 16.0 1.0
C C:ASN456 4.8 17.2 1.0
CA C:GLY428 4.8 12.1 1.0
CA C:ASP429 4.8 13.1 1.0
HA C:ASN455 4.8 15.0 1.0
HA3 C:GLY430 4.9 14.4 1.0
C C:GLY428 4.9 12.0 1.0
C C:TYR459 5.0 14.6 1.0
HB3 C:ASN456 5.0 21.9 1.0
HD1 C:TYR459 5.0 16.2 1.0
HB3 C:ASP429 5.0 15.9 1.0

Calcium binding site 6 out of 6 in 5dei

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Calcium binding site 6 out of 6 in the Benzoylformate Decarboxylase From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Benzoylformate Decarboxylase From Pseudomonas Putida within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca604

b:12.7
occ:1.00
O D:THR458 2.3 13.8 1.0
O13 D:TDP602 2.3 12.4 1.0
O D:HOH749 2.3 14.7 1.0
OD1 D:ASP429 2.3 14.8 1.0
O23 D:TDP602 2.3 12.3 1.0
OD1 D:ASN456 2.3 14.3 1.0
H D:THR458 3.2 16.9 1.0
CG D:ASN456 3.3 17.4 1.0
H D:GLY460 3.4 15.5 1.0
CG D:ASP429 3.4 14.6 1.0
P1 D:TDP602 3.4 11.9 1.0
HD21 D:ASN456 3.4 27.9 1.0
C D:THR458 3.5 14.0 1.0
P2 D:TDP602 3.5 12.4 1.0
H D:GLY430 3.5 14.1 1.0
H D:ASN456 3.5 16.8 1.0
O11 D:TDP602 3.6 11.6 1.0
H D:ASP429 3.6 15.3 1.0
ND2 D:ASN456 3.8 23.3 1.0
OD2 D:ASP429 3.9 17.2 1.0
N D:THR458 4.0 14.1 1.0
HA D:TYR459 4.0 14.2 1.0
O5G D:TDP602 4.1 11.7 1.0
HG23 D:THR458 4.2 18.5 1.0
N D:ASP429 4.2 12.7 1.0
N D:GLY460 4.2 12.9 1.0
HG22 D:THR458 4.3 18.5 1.0
HA3 D:GLY428 4.3 14.5 1.0
O22 D:TDP602 4.3 13.8 1.0
O D:MET454 4.3 13.5 1.0
N D:ASN456 4.3 14.0 1.0
N D:GLY430 4.3 11.7 1.0
CA D:THR458 4.4 13.9 1.0
H D:GLY457 4.4 18.7 1.0
N D:TYR459 4.4 13.3 1.0
O D:HOH779 4.5 14.1 1.0
CB D:ASN456 4.6 17.6 1.0
HD22 D:ASN456 4.6 27.9 1.0
O21 D:TDP602 4.6 13.4 1.0
CA D:TYR459 4.6 11.8 1.0
O12 D:TDP602 4.6 12.4 1.0
N D:GLY457 4.6 15.6 1.0
CB D:ASP429 4.6 14.5 1.0
CG2 D:THR458 4.7 15.4 1.0
HA2 D:GLY428 4.7 14.5 1.0
HA3 D:GLY460 4.7 17.5 1.0
CA D:ASN456 4.8 15.6 1.0
C D:ASN456 4.8 15.9 1.0
CA D:ASP429 4.8 13.1 1.0
HA D:ASN455 4.8 16.8 1.0
CA D:GLY428 4.8 12.1 1.0
HA3 D:GLY430 4.9 14.3 1.0
C D:GLY428 4.9 13.1 1.0
HB3 D:ASN456 5.0 21.2 1.0
C D:TYR459 5.0 13.8 1.0
HB3 D:ASP429 5.0 17.4 1.0

Reference:

A.K.Bera, M.S.Hasson. Benzoylformate Decarboxylase From Pseudomonas Putida To Be Published.
Page generated: Wed Jul 9 05:08:00 2025

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