Calcium in PDB 8im8: Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli

Enzymatic activity of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli

All present enzymatic activity of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli:
3.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli, PDB code: 8im8 was solved by Y.An, J.T.Park, K.H.Park, E.J.Woo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.02 / 2.70
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 133.242, 133.242, 386.269, 90, 90, 120
R / Rfree (%) 17.8 / 23.4

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli (pdb code 8im8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli, PDB code: 8im8:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 8im8

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Calcium binding site 1 out of 8 in the Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca701

b:39.9
occ:1.00
O A:ASP203 2.1 36.5 1.0
OD1 A:ASP207 2.3 38.5 1.0
OD1 A:ASN201 2.3 41.5 1.0
OD1 A:ASN206 2.3 45.5 1.0
OD2 A:ASP227 2.4 35.0 1.0
O A:HOH807 2.4 33.9 1.0
O A:GLY225 2.5 32.9 1.0
C A:ASP203 3.2 38.5 1.0
CG A:ASP227 3.3 36.2 1.0
CG A:ASN201 3.3 34.6 1.0
CG A:ASP207 3.4 39.7 1.0
CG A:ASN206 3.5 39.2 1.0
C A:GLY225 3.6 36.5 1.0
CB A:ASP227 3.6 32.4 1.0
ND2 A:ASN201 3.9 34.2 1.0
OD2 A:ASP207 4.0 36.8 1.0
CA A:GLY225 4.0 33.0 1.0
ND2 A:ASN206 4.1 38.4 1.0
N A:ASP203 4.1 40.0 1.0
N A:PRO204 4.1 39.5 1.0
CA A:PRO204 4.1 36.8 1.0
CA A:ASP203 4.1 37.1 1.0
OD1 A:ASP227 4.2 35.7 1.0
N A:ASP207 4.4 38.4 1.0
O A:ASN286 4.4 41.1 1.0
C A:ASN206 4.5 36.0 1.0
CB A:ASP203 4.5 34.1 1.0
CA A:ASP207 4.5 39.5 1.0
CB A:ASN201 4.5 33.8 1.0
CB A:ASP207 4.6 34.0 1.0
CA A:ASN201 4.6 34.7 1.0
C A:GLY226 4.7 34.1 1.0
O A:ASN206 4.7 35.6 1.0
N A:ASN206 4.7 34.4 1.0
O A:GLY226 4.7 36.3 1.0
N A:GLY226 4.7 33.1 1.0
N A:ASP227 4.8 32.1 1.0
CB A:ASN206 4.8 38.1 1.0
C A:PRO204 4.8 35.8 1.0
N A:GLY202 4.8 35.5 1.0
CA A:ASP227 4.8 32.4 1.0
CA A:ASN206 4.9 36.9 1.0
C A:ASN201 5.0 37.5 1.0

Calcium binding site 2 out of 8 in 8im8

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Calcium binding site 2 out of 8 in the Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca702

b:60.4
occ:1.00
OD1 A:ASN314 2.0 47.3 1.0
O A:LEU397 2.1 59.9 1.0
O A:HOH815 2.1 47.6 1.0
OD1 A:ASP406 2.3 61.6 1.0
O A:HIS464 2.4 54.2 1.0
CG A:ASP406 2.8 53.6 1.0
OD2 A:ASP406 3.0 52.8 1.0
CG A:ASN314 3.1 45.4 1.0
C A:LEU397 3.3 50.7 1.0
ND2 A:ASN314 3.5 45.2 1.0
C A:HIS464 3.6 48.0 1.0
O A:MET399 3.9 56.7 1.0
CB A:ASP406 4.0 43.4 1.0
CB A:HIS464 4.1 48.1 1.0
CA A:LEU397 4.2 51.6 1.0
N A:THR398 4.2 49.4 1.0
O A:ASP396 4.2 58.1 1.0
CA A:THR398 4.3 53.5 1.0
CA A:HIS464 4.4 46.9 1.0
O A:ASN314 4.4 46.3 1.0
CB A:ASN314 4.5 34.5 1.0
CG2 A:VAL465 4.6 39.1 1.0
N A:VAL465 4.7 42.6 1.0
C A:THR398 4.7 56.5 1.0
NH2 A:ARG383 4.7 39.0 1.0
CA A:ASN314 4.7 41.0 1.0
O A:ILE407 4.8 38.9 1.0
N A:MET399 4.8 53.2 1.0
CA A:ASP406 4.9 35.2 1.0
CA A:VAL465 4.9 50.9 1.0

Calcium binding site 3 out of 8 in 8im8

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Calcium binding site 3 out of 8 in the Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca701

b:29.4
occ:1.00
O B:ASP203 2.1 40.2 1.0
OD1 B:ASP207 2.1 37.8 1.0
OD1 B:ASN201 2.2 40.2 1.0
O B:GLY225 2.3 28.6 1.0
O B:HOH809 2.3 29.5 1.0
OD2 B:ASP227 2.3 34.5 1.0
OD1 B:ASN206 2.3 38.6 1.0
CG B:ASN201 3.2 35.5 1.0
CG B:ASP227 3.2 31.8 1.0
C B:ASP203 3.3 38.4 1.0
CG B:ASP207 3.3 34.2 1.0
CG B:ASN206 3.4 38.3 1.0
C B:GLY225 3.4 29.5 1.0
CB B:ASP227 3.6 29.4 1.0
ND2 B:ASN201 3.8 31.3 1.0
OD2 B:ASP207 3.9 37.2 1.0
ND2 B:ASN206 3.9 30.9 1.0
N B:ASP203 4.0 45.0 1.0
CA B:GLY225 4.0 30.4 1.0
CA B:ASP203 4.1 41.1 1.0
N B:PRO204 4.2 42.8 1.0
OD1 B:ASP227 4.3 32.6 1.0
CA B:PRO204 4.3 33.7 1.0
CB B:ASN201 4.3 27.6 1.0
N B:ASP207 4.4 29.2 1.0
CB B:ASP203 4.4 37.6 1.0
CA B:ASN201 4.4 32.4 1.0
CB B:ASP207 4.5 23.9 1.0
O B:ASN286 4.5 36.4 1.0
C B:GLY226 4.5 26.7 1.0
N B:GLY226 4.5 32.0 1.0
CA B:ASP207 4.6 27.8 1.0
N B:ASP227 4.6 25.2 1.0
C B:ASN206 4.7 31.9 1.0
N B:GLY202 4.7 28.3 1.0
O B:GLY226 4.7 33.4 1.0
CA B:ASP227 4.8 31.7 1.0
CB B:ASN206 4.8 28.2 1.0
CA B:GLY226 4.8 31.3 1.0
C B:ASN201 4.8 34.6 1.0
N B:ASN206 4.8 31.9 1.0
C B:PRO204 4.9 32.2 1.0
CA B:ASN206 5.0 34.1 1.0

Calcium binding site 4 out of 8 in 8im8

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Calcium binding site 4 out of 8 in the Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca702

b:52.5
occ:1.00
OD1 B:ASP406 2.1 71.0 1.0
O B:HOH821 2.2 50.4 1.0
O B:LEU397 2.2 53.5 1.0
OD2 B:ASP406 2.3 64.9 1.0
OD1 B:ASN314 2.4 52.2 1.0
CG B:ASP406 2.5 59.3 1.0
O B:HIS464 2.6 53.8 1.0
O B:HOH831 2.6 46.3 1.0
O B:HOH848 2.6 49.3 1.0
C B:LEU397 3.5 50.8 1.0
CG B:ASN314 3.5 47.1 1.0
C B:HIS464 3.8 47.1 1.0
CB B:ASP406 4.0 50.2 1.0
ND2 B:ASN314 4.1 38.8 1.0
O B:MET399 4.2 45.6 1.0
NH2 B:ARG383 4.3 52.5 1.0
O B:ASN314 4.3 39.2 1.0
N B:THR398 4.3 49.4 1.0
CA B:THR398 4.4 49.0 1.0
CB B:HIS464 4.4 39.4 1.0
CA B:LEU397 4.4 53.3 1.0
CG2 B:VAL465 4.5 41.6 1.0
CA B:HIS464 4.6 46.2 1.0
CA B:ASP406 4.7 47.8 1.0
O B:ASP396 4.7 51.9 1.0
CB B:ASN314 4.7 33.8 1.0
N B:VAL465 4.7 39.7 1.0
N B:ILE407 4.8 44.5 1.0
CA B:ASN314 4.8 36.1 1.0
C B:THR398 4.8 50.6 1.0
CA B:VAL465 4.9 49.2 1.0
C B:ASN314 5.0 37.1 1.0

Calcium binding site 5 out of 8 in 8im8

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Calcium binding site 5 out of 8 in the Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca701

b:34.8
occ:1.00
O C:HOH817 2.3 36.7 1.0
OD1 C:ASP207 2.3 45.3 1.0
O C:ASP203 2.3 47.3 1.0
O C:GLY225 2.3 29.4 1.0
OD1 C:ASN206 2.4 42.8 1.0
OD2 C:ASP227 2.5 41.9 1.0
OD1 C:ASN201 2.5 39.2 1.0
CG C:ASP227 3.3 37.9 1.0
CG C:ASN201 3.3 36.9 1.0
C C:GLY225 3.4 31.8 1.0
C C:ASP203 3.5 41.6 1.0
CG C:ASP207 3.6 42.3 1.0
CG C:ASN206 3.6 38.1 1.0
ND2 C:ASN201 3.7 32.6 1.0
CB C:ASP227 3.7 29.8 1.0
CA C:GLY225 3.9 32.6 1.0
OD1 C:ASP227 4.2 40.3 1.0
ND2 C:ASN206 4.2 39.1 1.0
N C:ASP203 4.3 38.0 1.0
N C:ASP207 4.3 39.8 1.0
OD2 C:ASP207 4.3 50.8 1.0
CA C:ASP203 4.3 41.5 1.0
N C:PRO204 4.4 39.8 1.0
CA C:PRO204 4.4 35.2 1.0
CB C:ASN201 4.4 33.2 1.0
CA C:ASP207 4.4 37.2 1.0
C C:ASN206 4.5 38.8 1.0
CB C:ASP203 4.5 41.7 1.0
N C:GLY226 4.5 33.6 1.0
O C:ASN286 4.6 36.6 1.0
CA C:ASN201 4.6 34.6 1.0
CB C:ASP207 4.6 38.9 1.0
C C:GLY226 4.6 35.2 1.0
C C:PRO204 4.7 38.5 1.0
N C:ASN206 4.7 31.3 1.0
N C:ASP227 4.8 29.9 1.0
O C:ASN206 4.8 35.2 1.0
CB C:ASN206 4.8 34.0 1.0
O C:GLY226 4.8 38.6 1.0
CA C:GLY226 4.9 31.1 1.0
O C:PRO204 4.9 43.8 1.0
CA C:ASP227 4.9 31.1 1.0
CA C:ASN206 4.9 37.6 1.0
N C:GLY202 4.9 37.2 1.0

Calcium binding site 6 out of 8 in 8im8

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Calcium binding site 6 out of 8 in the Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca702

b:116.9
occ:1.00
OD1 C:ASP406 2.1 87.8 1.0
O C:LEU397 2.3 109.2 1.0
O C:HOH803 2.3 72.8 1.0
O C:HIS464 2.5 97.7 1.0
OD1 C:ASN314 2.5 88.9 1.0
OD2 C:ASP406 2.7 89.3 1.0
CG C:ASP406 2.7 84.2 1.0
C C:LEU397 3.5 104.5 1.0
CG C:ASN314 3.7 75.3 1.0
C C:HIS464 3.7 92.8 1.0
CG2 C:VAL465 4.1 89.3 1.0
NH2 C:ARG383 4.2 73.5 1.0
O C:ASN314 4.2 63.5 1.0
CB C:ASP406 4.3 65.8 1.0
ND2 C:ASN314 4.3 80.8 1.0
N C:THR398 4.3 99.4 1.0
CA C:THR398 4.4 94.9 1.0
CA C:LEU397 4.4 97.7 1.0
O C:ILE407 4.4 66.1 1.0
CB C:HIS464 4.5 92.5 1.0
O C:MET399 4.5 84.3 1.0
N C:VAL465 4.6 91.1 1.0
CA C:VAL465 4.6 94.3 1.0
O C:ASP396 4.6 101.8 1.0
CA C:HIS464 4.7 91.1 1.0
CA C:ASN314 4.8 61.5 1.0
CB C:ASN314 4.8 63.7 1.0
C C:THR398 4.8 91.7 1.0
CB C:VAL465 4.9 91.1 1.0
C C:ASN314 5.0 56.7 1.0
CA C:ASP406 5.0 56.6 1.0
N C:ILE407 5.0 59.2 1.0

Calcium binding site 7 out of 8 in 8im8

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Calcium binding site 7 out of 8 in the Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca701

b:32.3
occ:1.00
OD1 D:ASP207 2.0 42.4 1.0
O D:ASP203 2.1 41.5 1.0
OD2 D:ASP227 2.3 36.2 1.0
O D:HOH823 2.4 38.2 1.0
O D:GLY225 2.4 30.4 1.0
OD1 D:ASN201 2.5 40.7 1.0
OD1 D:ASN206 2.5 39.9 1.0
C D:ASP203 3.2 39.8 1.0
CG D:ASP207 3.2 38.5 1.0
CG D:ASN201 3.3 36.0 1.0
CG D:ASP227 3.3 36.4 1.0
C D:GLY225 3.5 30.8 1.0
CG D:ASN206 3.7 37.6 1.0
CB D:ASP227 3.8 30.0 1.0
ND2 D:ASN201 3.8 30.2 1.0
OD2 D:ASP207 3.8 44.5 1.0
CA D:GLY225 3.9 31.9 1.0
N D:PRO204 4.0 46.8 1.0
N D:ASP203 4.0 39.5 1.0
CA D:PRO204 4.0 40.4 1.0
CA D:ASP203 4.1 34.9 1.0
ND2 D:ASN206 4.2 34.0 1.0
OD1 D:ASP227 4.4 36.8 1.0
CB D:ASP203 4.4 35.8 1.0
CB D:ASP207 4.4 31.1 1.0
N D:ASP207 4.4 35.8 1.0
CB D:ASN201 4.4 28.7 1.0
CA D:ASP207 4.5 33.2 1.0
CA D:ASN201 4.5 33.2 1.0
C D:PRO204 4.6 41.3 1.0
N D:GLY226 4.6 32.0 1.0
C D:ASN206 4.6 35.3 1.0
C D:GLY226 4.7 33.6 1.0
O D:ASN286 4.7 39.8 1.0
N D:ASN206 4.8 38.8 1.0
O D:GLY226 4.8 40.2 1.0
N D:ASP227 4.9 31.1 1.0
C D:ASN201 4.9 40.6 1.0
CB D:ASN206 4.9 38.7 1.0
N D:GLY202 4.9 39.2 1.0
CA D:GLY226 5.0 32.6 1.0
CA D:ASP227 5.0 31.9 1.0
O D:PRO204 5.0 42.1 1.0

Calcium binding site 8 out of 8 in 8im8

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Calcium binding site 8 out of 8 in the Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of Periplasmic Alpha-Amylase (Mals) From E.Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca702

b:59.9
occ:1.00
O D:HOH840 2.0 58.8 1.0
O D:HOH810 2.1 39.2 1.0
O D:HOH808 2.2 39.5 1.0
OD1 D:ASP406 2.2 53.2 1.0
O D:LEU397 2.5 59.6 1.0
OD1 D:ASN314 2.6 56.0 1.0
O D:HIS464 2.7 54.6 1.0
CG D:ASP406 3.0 48.9 1.0
OD2 D:ASP406 3.0 52.0 1.0
C D:LEU397 3.7 56.3 1.0
O D:ILE407 3.8 35.1 1.0
CG D:ASN314 3.9 54.0 1.0
C D:HIS464 3.9 53.3 1.0
CG2 D:VAL465 4.2 48.6 1.0
O D:ASN314 4.3 35.5 1.0
OG1 D:THR409 4.4 47.9 1.0
CA D:LEU397 4.5 54.0 1.0
CB D:ASP406 4.5 41.4 1.0
CA D:VAL465 4.5 50.2 1.0
N D:THR398 4.6 57.5 1.0
CA D:THR398 4.6 52.0 1.0
ND2 D:ASN314 4.7 58.8 1.0
N D:VAL465 4.7 55.7 1.0
CA D:ASN314 4.8 38.3 1.0
CB D:HIS464 4.8 48.5 1.0
NH1 D:ARG383 4.9 55.8 1.0
O D:MET399 4.9 50.1 1.0
CB D:ASN314 4.9 41.2 1.0
CA D:HIS464 4.9 51.7 1.0
N D:ILE407 5.0 37.6 1.0
C D:ASN314 5.0 34.5 1.0

Reference:

Y.An, P.L.Tran, M.J.Yoo, H.N.Song, K.H.Park, T.J.Kim, J.T.Park, E.J.Woo. The Distinctive Permutated Domain Structure of Periplasmic Alpha-Amylase (Mals) From Glycoside Hydrolase Family 13 Subfamily 19. Molecules V. 28 2023.
ISSN: ESSN 1420-3049
DOI: 10.3390/MOLECULES28103972
Page generated: Wed Jul 26 13:40:26 2023

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