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Calcium in PDB 6o44: Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis

Enzymatic activity of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis

All present enzymatic activity of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis:
3.4.21.62;

Protein crystallography data

The structure of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis, PDB code: 6o44 was solved by H.Tang, K.Shi, H.Aihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.16 / 1.83
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.177, 80.123, 87.729, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis (pdb code 6o44). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis, PDB code: 6o44:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 6o44

Go back to Calcium Binding Sites List in 6o44
Calcium binding site 1 out of 4 in the Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:15.9
occ:1.00
 OE1 A:GLN2 2.2 16.7 1.0
O A:LEU75 2.3 19.3 1.0
OD1 A:ASN77 2.3 19.3 1.0
O A:ILE79 2.4 19.3 1.0
OD1 A:ASP41 2.4 23.8 1.0
O A:VAL81 2.4 17.3 1.0
OD2 A:ASP41 2.6 17.1 1.0
CG A:ASP41 2.9 26.2 1.0
CG A:ASN77 3.3 20.8 1.0
CD A:GLN2 3.3 20.4 1.0
HG3 A:GLN2 3.3 25.9 1.0
H A:ASN77 3.4 23.7 1.0
HD21 A:ASN77 3.4 26.3 1.0
C A:LEU75 3.5 18.2 1.0
C A:ILE79 3.6 25.1 1.0
HG13 A:ILE79 3.6 30.0 1.0
C A:VAL81 3.6 19.6 1.0
H A:VAL81 3.6 28.5 1.0
H A:ILE79 3.7 29.7 1.0
ND2 A:ASN77 3.7 21.8 1.0
N A:VAL81 3.8 23.7 1.0
CG A:GLN2 3.8 21.5 1.0
N A:ASN77 3.9 20.1 1.0
HA A:ASN76 4.0 28.5 1.0
HA3 A:GLY80 4.0 21.3 1.0
HB2 A:GLN2 4.1 28.6 1.0
C A:GLY80 4.1 17.7 1.0
HB2 A:LEU75 4.1 21.6 1.0
HA A:LEU82 4.2 27.0 1.0
HB1 A:ALA74 4.2 19.8 1.0
H A:LEU75 4.3 23.0 1.0
N A:LEU75 4.3 19.1 1.0
CA A:VAL81 4.3 17.5 1.0
CA A:LEU75 4.4 26.5 1.0
CA A:GLY80 4.4 18.0 1.0
CB A:ASP41 4.4 17.0 1.0
N A:ILE79 4.4 24.7 1.0
CG1 A:ILE79 4.4 24.9 1.0
N A:ASN76 4.4 18.8 1.0
N A:GLY80 4.4 20.4 1.0
HG12 A:ILE79 4.4 30.0 1.0
NE2 A:GLN2 4.5 18.8 1.0
CB A:ASN77 4.5 20.6 1.0
CA A:ASN76 4.5 23.7 1.0
CB A:GLN2 4.5 23.8 1.0
CA A:ILE79 4.5 25.7 1.0
HD22 A:ASN77 4.6 26.3 1.0
C A:ASN76 4.6 22.3 1.0
CA A:ASN77 4.6 21.8 1.0
HE21 A:GLN2 4.6 22.7 1.0
HG2 A:GLN2 4.6 25.9 1.0
N A:LEU82 4.6 22.7 1.0
HA A:ASP41 4.7 20.4 1.0
C A:ASN77 4.7 24.2 1.0
O A:ASN77 4.7 21.2 1.0
O A:GLY80 4.7 21.1 1.0
CB A:LEU75 4.7 18.3 1.0
HB2 A:ASP41 4.8 20.2 1.0
C A:ALA74 4.8 17.1 1.0
HA A:VAL81 4.8 21.1 1.0
HB3 A:ASP41 4.8 20.2 1.0
CA A:LEU82 4.9 22.4 1.0
HB2 A:LEU82 4.9 26.2 1.0
HB3 A:ASN77 4.9 24.6 1.0
HD13 A:LEU82 5.0 31.8 1.0

Calcium binding site 2 out of 4 in 6o44

Go back to Calcium Binding Sites List in 6o44
Calcium binding site 2 out of 4 in the Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:37.8
occ:1.00
 NE2 A:HIS64 2.2 25.7 1.0
SG A:CYS221 2.4 33.8 1.0
O1 A:EDO304 2.7 48.2 1.0
HB2 A:CYS221 2.8 24.4 1.0
CB A:CYS221 2.9 20.2 1.0
HB3 A:CYS221 2.9 24.4 1.0
CD2 A:HIS64 3.1 25.0 1.0
HD2 A:HIS64 3.1 30.1 1.0
CE1 A:HIS64 3.3 23.1 1.0
HE1 A:HIS64 3.5 27.7 1.0
C1 A:EDO304 3.6 50.9 1.0
H12 A:EDO304 3.7 61.1 1.0
H11 A:EDO304 3.8 61.1 1.0
HD21 A:ASN155 4.1 23.1 1.0
HE1 A:MET222 4.1 38.9 1.0
CG A:HIS64 4.3 23.1 1.0
ND1 A:HIS64 4.3 24.8 1.0
H A:CYS221 4.4 19.6 1.0
CA A:CYS221 4.4 15.4 1.0
O A:SER125 4.4 27.5 1.0
ND2 A:ASN155 4.7 19.2 1.0
HD22 A:ASN155 4.8 23.1 1.0
HB3 A:SER125 4.8 21.2 1.0
CE A:MET222 4.8 32.3 1.0
HE3 A:MET222 4.8 38.9 1.0
HA3 A:GLY219 4.8 28.0 1.0
HA A:CYS221 4.8 18.1 1.0
N A:CYS221 4.9 16.3 1.0
SD A:MET222 4.9 32.4 1.0
C2 A:EDO304 5.0 47.3 1.0

Calcium binding site 3 out of 4 in 6o44

Go back to Calcium Binding Sites List in 6o44
Calcium binding site 3 out of 4 in the Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca301

b:17.0
occ:1.00
 OE1 B:GLN2 2.2 23.0 1.0
O B:LEU75 2.4 19.3 1.0
OD1 B:ASN77 2.4 23.2 1.0
O B:VAL81 2.4 18.3 1.0
OD1 B:ASP41 2.4 21.2 1.0
O B:ILE79 2.5 18.5 1.0
OD2 B:ASP41 2.6 22.7 1.0
CG B:ASP41 2.8 36.6 1.0
CD B:GLN2 3.3 24.9 1.0
HG3 B:GLN2 3.3 31.8 1.0
CG B:ASN77 3.4 22.3 1.0
H B:ASN77 3.4 27.8 1.0
C B:LEU75 3.6 17.9 1.0
HG13 B:ILE79 3.6 33.5 1.0
C B:ILE79 3.6 26.4 1.0
C B:VAL81 3.6 17.4 1.0
H B:ILE79 3.6 23.9 1.0
H B:VAL81 3.6 26.7 1.0
HD21 B:ASN77 3.6 24.9 1.0
N B:VAL81 3.8 22.2 1.0
CG B:GLN2 3.8 26.4 1.0
ND2 B:ASN77 3.9 20.7 1.0
N B:ASN77 3.9 23.1 1.0
HA B:ASN76 4.0 28.4 1.0
HA3 B:GLY80 4.0 29.4 1.0
HB2 B:GLN2 4.1 26.7 1.0
C B:GLY80 4.1 25.4 1.0
HA B:LEU82 4.2 20.0 1.0
HB2 B:LEU75 4.2 27.1 1.0
HB1 B:ALA74 4.3 19.7 1.0
CA B:VAL81 4.4 17.6 1.0
N B:ILE79 4.4 20.2 1.0
HG12 B:ILE79 4.4 33.5 1.0
H B:LEU75 4.4 28.4 1.0
CB B:ASP41 4.4 21.1 1.0
N B:LEU75 4.4 23.6 1.0
CG1 B:ILE79 4.4 27.8 1.0
CA B:GLY80 4.4 24.4 1.0
NE2 B:GLN2 4.4 19.4 1.0
CA B:LEU75 4.4 20.8 1.0
N B:GLY80 4.5 23.1 1.0
N B:ASN76 4.5 22.8 1.0
CA B:ASN76 4.5 23.6 1.0
CB B:GLN2 4.5 22.2 1.0
CA B:ILE79 4.5 22.2 1.0
CB B:ASN77 4.6 27.7 1.0
HE21 B:GLN2 4.6 23.4 1.0
CA B:ASN77 4.6 19.7 1.0
C B:ASN76 4.6 28.4 1.0
HG2 B:GLN2 4.6 31.8 1.0
C B:ASN77 4.6 20.1 1.0
N B:LEU82 4.6 16.4 1.0
O B:ASN77 4.7 28.2 1.0
HA B:ASP41 4.7 24.9 1.0
HD22 B:ASN77 4.7 24.9 1.0
HB2 B:ASP41 4.7 25.0 1.0
O B:GLY80 4.8 19.7 1.0
HA B:VAL81 4.8 21.2 1.0
HB3 B:ASP41 4.8 25.0 1.0
CB B:LEU75 4.8 22.5 1.0
C B:ALA74 4.8 21.5 1.0
CA B:LEU82 4.8 16.6 1.0
HB2 B:LEU82 4.9 21.8 1.0

Calcium binding site 4 out of 4 in 6o44

Go back to Calcium Binding Sites List in 6o44
Calcium binding site 4 out of 4 in the Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca302

b:44.3
occ:1.00
 NE2 B:HIS64 2.3 22.8 1.0
SG B:CYS221 2.4 37.1 1.0
HO1 A:EDO307 2.5 0.1 1.0
HB2 B:CYS221 2.9 34.7 1.0
O1 A:EDO307 3.0 0.6 1.0
CD2 B:HIS64 3.0 24.0 1.0
CB B:CYS221 3.1 28.8 1.0
HB3 B:CYS221 3.1 34.7 1.0
HD2 B:HIS64 3.1 28.8 1.0
CE1 B:HIS64 3.4 26.3 1.0
HE1 B:HIS64 3.6 31.6 1.0
O B:HOH550 3.9 40.1 1.0
HE3 B:MET222 4.1 29.3 1.0
HD21 B:ASN155 4.2 26.9 1.0
CG B:HIS64 4.2 25.6 1.0
C1 A:EDO307 4.3 0.4 1.0
ND1 B:HIS64 4.4 26.1 1.0
H11 A:EDO307 4.4 0.5 1.0
O B:SER125 4.4 22.7 1.0
H B:CYS221 4.5 20.0 1.0
CA B:CYS221 4.5 16.6 1.0
H12 A:EDO307 4.7 0.5 1.0
CE B:MET222 4.8 24.3 1.0
HD22 B:ASN155 4.8 26.9 1.0
ND2 B:ASN155 4.8 22.4 1.0
HE2 B:MET222 4.8 29.3 1.0
HB3 B:SER125 4.9 24.6 1.0
HA3 B:GLY219 5.0 23.2 1.0
HA B:CYS221 5.0 19.5 1.0

Reference:

H.Tang, J.Zhang, K.Shi, H.Aihara, G.Du. Insight Into Subtilisin E-S7 Cleavage Pattern Based on Crystal Structure and Hydrolysates Peptide Analysis. Biochem. Biophys. Res. V. 512 623 2019COMMUN..
ISSN: ESSN 1090-2104
PubMed: 30914195
DOI: 10.1016/J.BBRC.2019.03.064
Page generated: Tue Jul 16 12:19:29 2024

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