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Calcium in PDB 5sic: Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor)

Enzymatic activity of Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor)

All present enzymatic activity of Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor):
3.4.21.62;

Protein crystallography data

The structure of Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor), PDB code: 5sic was solved by Y.Mitsui, Y.Takeuchi, K.T.Nakamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.20
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.200, 185.900, 69.500, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor) (pdb code 5sic). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor), PDB code: 5sic:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 5sic

Go back to Calcium Binding Sites List in 5sic
Calcium binding site 1 out of 2 in the Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca501

b:4.1
occ:1.00
 OD1 E:ASP41 2.1 3.1 1.0
O E:VAL81 2.2 4.6 1.0
O E:LEU75 2.3 2.6 1.0
OD1 E:ASN77 2.4 2.0 1.0
O E:ILE79 2.4 4.2 1.0
OD2 E:ASP41 2.5 2.1 1.0
OE1 E:GLN2 2.6 4.0 1.0
CG E:ASP41 2.7 2.6 1.0
C E:LEU75 3.3 3.3 1.0
CG E:ASN77 3.4 2.0 1.0
C E:VAL81 3.4 4.5 1.0
CD E:GLN2 3.6 4.8 1.0
C E:ILE79 3.6 4.2 1.0
N E:VAL81 3.8 5.8 1.0
ND2 E:ASN77 4.0 2.0 1.0
N E:ASN77 4.0 4.1 1.0
N E:ASN76 4.1 5.2 1.0
CB E:ASP41 4.1 2.0 1.0
C E:GLY80 4.1 5.9 1.0
CG E:GLN2 4.2 5.3 1.0
CA E:LEU75 4.2 2.0 1.0
CA E:GLY80 4.2 4.7 1.0
CA E:ASN76 4.2 4.8 1.0
N E:LEU75 4.3 2.0 1.0
CA E:VAL81 4.3 4.2 1.0
N E:GLY80 4.3 5.5 1.0
N E:LEU82 4.4 4.3 1.0
CB E:LEU75 4.4 2.1 1.0
C E:ALA74 4.5 2.0 1.0
CA E:LEU82 4.7 3.3 1.0
C E:ASN76 4.7 6.6 1.0
N E:ILE79 4.7 4.4 1.0
CB E:ASN77 4.7 2.0 1.0
NE2 E:GLN2 4.7 5.0 1.0
CA E:ILE79 4.8 3.5 1.0
CA E:ASN77 4.8 2.0 1.0
O E:ALA74 4.8 2.0 1.0
CG1 E:ILE79 4.8 2.0 1.0
CA E:ASP41 4.9 2.0 1.0
CB E:GLN2 4.9 6.2 1.0
O E:GLY80 4.9 6.6 1.0
C E:ASN77 5.0 2.3 1.0
O E:ASP41 5.0 2.3 1.0

Calcium binding site 2 out of 2 in 5sic

Go back to Calcium Binding Sites List in 5sic
Calcium binding site 2 out of 2 in the Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca502

b:26.8
occ:1.00
 O E:HOH631 2.5 10.7 1.0
O E:HOH632 2.8 13.3 1.0
O E:GLU195 2.9 8.8 1.0
O E:TYR171 2.9 9.2 1.0
O E:GLY169 2.9 8.1 1.0
O E:VAL174 3.0 10.6 1.0
OD2 E:ASP197 3.1 9.4 1.0
C E:TYR171 3.6 7.8 1.0
O E:LYS170 3.7 9.9 1.0
CA E:PRO172 3.7 7.6 1.0
OD1 E:ASP197 4.0 8.6 1.0
C E:GLU195 4.0 9.4 1.0
CG E:ASP197 4.0 8.9 1.0
N E:PRO172 4.0 8.4 1.0
C E:GLY169 4.0 9.4 1.0
C E:LYS170 4.0 9.4 1.0
CB E:ALA176 4.1 6.8 1.0
C E:VAL174 4.2 10.0 1.0
CB E:GLU195 4.2 12.8 1.0
C E:PRO172 4.2 7.7 1.0
CA E:GLU195 4.4 10.8 1.0
O E:PRO172 4.4 9.4 1.0
N E:ALA176 4.5 7.0 1.0
N E:TYR171 4.5 7.8 1.0
CA E:LYS170 4.6 8.9 1.0
N E:VAL174 4.7 11.0 1.0
CA E:TYR171 4.7 7.5 1.0
NH2 E:ARG247 4.7 2.0 1.0
N E:LYS170 4.7 8.4 1.0
CA E:VAL174 4.9 10.1 1.0
N E:SER173 4.9 8.0 1.0
CA E:GLY169 4.9 10.0 1.0

Reference:

Y.Takeuchi, S.Noguchi, Y.Satow, S.Kojima, I.Kumagai, K.Miura, K.T.Nakamura, Y.Mitsui. Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor). Protein Eng. V. 4 501 1991.
ISSN: ISSN 0269-2139
PubMed: 1891457
DOI: 10.1093/PROTEIN/4.5.501
Page generated: Wed Jul 9 09:49:03 2025

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